Molecule directory
Explore structures, source datasets and saved model predictions for molecules registered in MolClass.
Search by molecule name, identifier or structure →- O.O.Cl.Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc21
MolClass #155339
RZFNKJVCPDLQQA-UHFFFAOYSA-N
- CN1CCC(CC1)=C1c2ccccc2Sc2ccccc21.OC(=O)C=CC(O)=O
MolClass #155340
IPANUAHQWFDVAG-UHFFFAOYSA-N
- O.Cl.OC(=O)C1=CN(C2CC2)c2cc(N3CCNCC3)c(F)cc2C1=O
MolClass #155341
ARPUHYJMCVWYCZ-UHFFFAOYSA-N
- Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
MolClass #155342
OWULVAZDMWJBLB-UHFFFAOYSA-N
- Cl.CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
MolClass #155343
KNZADIMHVBBPOA-UHFFFAOYSA-N
- O.O.Cl.Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
MolClass #155344
YVNAYSHNIILOJS-UHFFFAOYSA-N
- Cc1ncc(CN(C=O)C(C)=C(CCOP(O)(O)=O)SC(=O)c2ccccc2)c(N)n1
MolClass #155345
BTNNPSLJPBRMLZ-UHFFFAOYSA-N
- [O-]S(=O)(=O)c1ccc(C)cc1.CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
MolClass #155346
MOQZYUUHIWPDQC-UHFFFAOYSA-M
- OCC(O)C1OC(=O)C(O)=C1O
MolClass #155347
CIWBSHSKHKDKBQ-UHFFFAOYSA-N
- CC(C)N=c1cc2N(c3ccc(Cl)cc3)c3ccccc3N=c2cc1Nc1ccc(Cl)cc1
MolClass #155348
WDQPAMHFFCXSNU-UHFFFAOYSA-N
- O.Br.COc1ccc2CC3C4CCCCC4(CCN3C)c2c1
MolClass #155349
STTADZBLEUMJRG-UHFFFAOYSA-N
- Cl.CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C1OC(SC)C(O)C(O)C1O
MolClass #155350
AUODDLQVRAJAJM-UHFFFAOYSA-N
- CC1C2CCC3C4CC=C5CC(CCC5(C)C4CCC32CN1C)N(C)C
MolClass #155351
GPLGAQQQNWMVMM-UHFFFAOYSA-N
- CCN(CC)CCOC(=O)C(CC1CCCO1)Cc1cccc2ccccc12.OC(=O)C(O)=O
MolClass #155352
SSAJNPNVUYMUCI-UHFFFAOYSA-N
- [BrH-].C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
MolClass #155353
SDWNUJVKIRDYME-UHFFFAOYSA-N
- CC(=O)NC(CC(O)=O)C(O)=O
MolClass #155354
OTCCIMWXFLJLIA-UHFFFAOYSA-N
- CC1(C)SC2C(NC(=O)C(N)c3ccc(O)cc3)C(=O)N2C1C(O)=O
MolClass #155355
LSQZJLSUYDQPKJ-UHFFFAOYSA-N
- CC(=O)OCC1CSC2C(N)C(=O)N2C=1C(O)=O
MolClass #155356
HSHGZXNAXBPPDL-UHFFFAOYSA-N
- CCC1C(O)N2C3CC1C1C(O)C4(CC12)C3N(C)c1ccccc14
MolClass #155357
CJDRUOGAGYHKKD-UHFFFAOYSA-N
- O.O.NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O
MolClass #155358
ARXXWSPWNHULSJ-UHFFFAOYSA-N
- Cl.Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1
MolClass #155359
QNVKOSLOVOTXKF-UHFFFAOYSA-N
- CC(OC1C(O)C(CO)OC(O)C1NC(C)=O)C(O)=O
MolClass #155360
MNLRQHMNZILYPY-UHFFFAOYSA-N
- COc1ccc(CC2NCC(O)C2OC(C)=O)cc1
MolClass #155361
YKJYKKNCCRKFSL-UHFFFAOYSA-N
- CC(C)CC(NC(=O)C(C)NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(O)CC(O)=O
MolClass #155362
FAXGPCHRFPCXOO-UHFFFAOYSA-N
- O.O.CCN1CCN(C(=O)NC(C(=O)NC2C3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O
MolClass #155363
OMYIZCZQILAOGB-UHFFFAOYSA-N
- O.OC(C(O)C(O)=O)C(O)=O.Fc1ccc(cc1)C(=O)C1CCN(CC1)CCN1C(=O)Nc2ccccc2C1=O
MolClass #155364
KJJRKCWDAHTVRL-UHFFFAOYSA-N
- CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1.OC(=O)C=CC(O)=O
MolClass #155365
IWDBEHWZGDSFHR-UHFFFAOYSA-N
- Cl.Clc1ccc(cc1)C(OCCN1CCCCC1)c1ccccc1
MolClass #155366
UNPLRYRWJLTVAE-UHFFFAOYSA-N
- O.CC1CSC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C=1C(O)=O
MolClass #155367
AVGYWQBCYZHHPN-UHFFFAOYSA-N
- Cl.CN(C)CCC=C1c2ccccc2Sc2ccc(Cl)cc21
MolClass #155368
YWKRLOSRDGPEJR-UHFFFAOYSA-N
- O.CN1Cc2c(ccc3OCOc32)C2C(O)Cc3cc4OCOc4cc3C21
MolClass #155369
GDQZNUMWHOMFLJ-UHFFFAOYSA-N
- CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O
MolClass #155370
LBXHRAWDUMTPSE-UHFFFAOYSA-N
- CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O
MolClass #155371
PYTMYKVIJXPNBD-UHFFFAOYSA-N
- COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC1)Cc1ccccc1.OC(=O)C=CC(O)=O
MolClass #155372
BCVIWCRZYPHHMQ-UHFFFAOYSA-N
- Cl.CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
MolClass #155373
GDWDBGSWGNEMGJ-UHFFFAOYSA-N
- Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
MolClass #155374
OPXKTCUYRHXSBK-UHFFFAOYSA-N
- Cl.Cl.C1Cc2ccccc2c2nnc(NCCN3CCOCC3)cc2C1
MolClass #155375
LAROMNHHFPRNET-UHFFFAOYSA-N
- CC(CCC(=O)NCC(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
MolClass #155376
RFDAIACWWDREDC-UHFFFAOYSA-N
- CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C
MolClass #155377
QOLRLLFJMZLYQJ-UHFFFAOYSA-N
- Cl.COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)C1CCCO1
MolClass #155378
YTNKWDJILNVLGX-UHFFFAOYSA-N
- Cl.CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)c1ccccc1)C2=O
MolClass #155379
IWVTXAGTHUECPN-UHFFFAOYSA-N
- Cl.CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
MolClass #155380
LBARATORRVNNQM-UHFFFAOYSA-N
- Cl.COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1
MolClass #155381
ZDPACSAHMZADFZ-UHFFFAOYSA-N
- O.NC(C(=O)NC1C2SCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1
MolClass #155382
WKJGTOYAEQDNIA-UHFFFAOYSA-N
- O.O.O.O.O.O.O.Cl.Cl.CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1NCCc2cc(O)c(OC)cc12
MolClass #155383
DFAXGZYTCIFHEW-UHFFFAOYSA-N
- CC1=CC(=O)N(O)C(=C1)C1CCCCC1.NCCO
MolClass #155384
MBRHNTMUYWQHMR-UHFFFAOYSA-N
- COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
MolClass #155385
DCSUBABJRXZOMT-UHFFFAOYSA-N
- CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CNC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)C)C(C)O.OS(O)(=O)=O.OS(O)(=O)=O
MolClass #155386
ARRQDUSJNPQOGL-UHFFFAOYSA-N
- Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1
MolClass #155387
UKPBEPCQTDRZSE-UHFFFAOYSA-N
- Cl.COc1cccc2c(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3c(=O)c12)C(C)=O
MolClass #155388
GUGHGUXZJWAIAS-UHFFFAOYSA-N
- CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(O)=O.COC(N)(CO)CO
MolClass #155389
RLFNJGOHWGRCER-UHFFFAOYSA-N
- OC(=O)=CC=C(O)=O.Clc1ccc2N(C3CCN(CCCN4C(=O)Nc5ccccc45)CC3)C(=O)Nc2c1
MolClass #155390
OAUUYDZHCOULIO-UHFFFAOYSA-N
- Cl.CN(C)CCC=C1c2ccccc2CSc2ccccc21
MolClass #155391
XUPZAARQDNSRJB-UHFFFAOYSA-N
- NC(=N)NCc1cccc(I)c1.OS(O)(=O)=O
MolClass #155392
NMHJRGCKGFRFAQ-UHFFFAOYSA-N
- O.Cl.CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1
MolClass #155393
RAOHHYUBMJLHNC-UHFFFAOYSA-N
- [O-][N+](=O)OC1COC2C(COC12)O[N+]([O-])=O
MolClass #155394
MOYKHGMNXAOIAT-UHFFFAOYSA-N
- CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1
MolClass #155395
BLSQLHNBWJLIBQ-UHFFFAOYSA-N
- Cl.C1CN=C(CN(Cc2ccccc2)c2ccccc2)N1
MolClass #155396
SWKDMSRRIBZZAY-UHFFFAOYSA-N
- O.CC(C)(CO)C(O)C(=O)NCCC(=O)O[Ca]OC(=O)CCNC(=O)C(O)C(C)(C)CO
MolClass #155397
KUKRZUPDYACRAM-UHFFFAOYSA-L
- O.O.O.CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(O)=O
MolClass #155398
RXDALBZNGVATNY-UHFFFAOYSA-N
- [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(c2ccc(N=Nc3ccc(cc3OC)c3ccc(N=Nc4ccc5c(cc(c(N)c5c4O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c3)c(O)c2c1N)S([O-])(=O)=O
MolClass #155399
BPHHNXJPFPEJOF-UHFFFAOYSA-J
- O.[Na+].[O-]C(=O)C1=CN(CC)c2nc(C)ccc2C1=O
MolClass #155400
OWEXQJSSKQXXSX-UHFFFAOYSA-M
- [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)C(N=C)c1ccccc1)C2=O
MolClass #155401
CRTBAVDGJWEWNJ-UHFFFAOYSA-M
- O.[Na+].[O-]C(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl
MolClass #155402
QHJLLDJTVQAFAN-UHFFFAOYSA-M
- CC1CCC2(NC1)OC1CC3C4CCC5CC(CCC5(C)C4CCC3(C)C1C2C)OC1OC(CO)C(OC2OC(CO)C(O)C(OC3OCC(O)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O
MolClass #155403
REJLGAUYTKNVJM-UHFFFAOYSA-N
- NC(CN1C=CC(=O)C(O)=C1)C(O)=O
MolClass #155404
WZNJWVWKTVETCG-UHFFFAOYSA-N
- O.Br.CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc21
MolClass #155405
IWSVSZYIGVGHCN-UHFFFAOYSA-N
- COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(C=NN1CCN(C)CC1)c(O)c4c3C2=O
MolClass #155406
JQXXHWHPUNPDRT-UHFFFAOYSA-N
- CC1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(O)CC(OC2OC(C)C(O)C(N)C2O)C=CC=CC=CC=CCCC=CC=CC(C)C(O)C1C)C(O)=O
MolClass #155407
ZDFDJJJGIRGMBE-UHFFFAOYSA-N
- CNCCc1ccccn1.CS(O)(=O)=O.CS(O)(=O)=O
MolClass #155408
ZBJJDYGJCNTNTH-UHFFFAOYSA-N
- Cl.OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1
MolClass #155409
RDNLAULGBSQZMP-UHFFFAOYSA-N
- Cl.Cl.OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
MolClass #155410
PGLIUCLTXOYQMV-UHFFFAOYSA-N
- CC(O)C1C2CC(SCCNC=N)=C(N2C1=O)C(O)=O
MolClass #155411
ZSKVGTPCRGIANV-UHFFFAOYSA-N
- Cl.CC(Cc1ccccc1)N(C)CC#C
MolClass #155412
IYETZZCWLLUHIJ-UHFFFAOYSA-N
- CNC1C(O)C(OCC1(C)O)OC1C(N)CC(N)C(OC2OC(CN)=CCC2N)C1O.OS(O)(=O)=O
MolClass #155413
JVTNJDPXUPRGIE-UHFFFAOYSA-N
- NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)CC1O
MolClass #155414
NLVFBUXFDBBNBW-UHFFFAOYSA-N
- CN1CCCCC1CCN1c2ccccc2Sc2ccc(cc12)S(C)=O.OS(=O)(=O)c1ccccc1
MolClass #155415
CRJHBCPQHRVYBS-UHFFFAOYSA-N
- CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
MolClass #155416
ORNBQBCIOKFOEO-UHFFFAOYSA-N
- CC1OC(CC(O)C1OC1CC(O)C(OC2CC(OC(C)=O)C(OC3OC(CO)C(O)C(O)C3O)C(C)O2)C(C)O1)OC1CCC2(C)C(CCC3(C)C2(C)CC(O)C2(C)C(CCC32O)C2COC(=O)C=2)C1
MolClass #155417
OTUSTFGEUFIFSO-UHFFFAOYSA-N
- Cl.COc1cc2CCNC(C)c2cc1OC
MolClass #155418
UJXLTDHDLUBZBL-UHFFFAOYSA-N
- Cl.Cl.COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
MolClass #155419
LUGFRGZVWVEDNU-UHFFFAOYSA-N
- Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC
MolClass #155420
VYFLPFGUVGMBEP-UHFFFAOYSA-N
- [O-][N+](=O)c1oc(cc1)C=NNC(=O)c1ccc(O)cc1
MolClass #155421
YCWSUKQGVSGXJO-UHFFFAOYSA-N
- COc1c(OC2OC(CO)C(O)C(O)C2O)cc2CCC(NC(C)=O)C3=CC(=O)C(SC)=CC=C3c2c1OC
MolClass #155422
LEQAKWQJCITZNK-UHFFFAOYSA-N
- CC(O)C(C)=O.CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1
MolClass #155423
GLNZEGGVIIKOAL-UHFFFAOYSA-N
- Cl.CC1C(=O)c2cccc(C(=O)OCCN3CCCCC3)c2OC=1c1ccccc1
MolClass #155424
XOEVKNFZUQEERE-UHFFFAOYSA-N
- Cl.OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
MolClass #155425
AVZIYZHXZAYGJS-UHFFFAOYSA-N
- CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(C)=O.OC(=O)C=CC(O)=O
MolClass #155426
FQRHOOHLUYHMGG-UHFFFAOYSA-N
- CC1CC2C3CCC(C(C)=O)C3(C)CC(O)C2C2(C)CCC(=O)C=C12
MolClass #155427
GZENKSODFLBBHQ-UHFFFAOYSA-N
- Cl.CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C
MolClass #155428
SIEYLFHKZGLBNX-UHFFFAOYSA-N
- Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
MolClass #155429
PRGUDWLMFLCODA-UHFFFAOYSA-N
- Cl.CCOC(=O)NNc1nncc2ccccc12
MolClass #155430
OMCOKCNIYWULQH-UHFFFAOYSA-N
- O.Cl.Cl.CN(C)CC=C(c1ccc(Br)cc1)c1cccnc1
MolClass #155431
WFUAVXYXJOQWAZ-UHFFFAOYSA-N
- Cl.CNCC(O)c1ccc(O)c(OC)c1
MolClass #155432
HRIQFVCFOPJYEQ-UHFFFAOYSA-N
- COc1ccc(cc1O)C1CC(=O)c2c(O)cc(O)cc2O1
MolClass #155433
AIONOLUJZLIMTK-UHFFFAOYSA-N
- [K+].[O-]C(=O)CCC1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C
MolClass #155434
JTZQCHFUGHIPDF-UHFFFAOYSA-M
- Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1
MolClass #155435
NLOALSPYZIIXEO-UHFFFAOYSA-N
- CCN(CCCc1ccccc1)CCCc1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)=O
MolClass #155436
RYHCACJBKCOBTJ-UHFFFAOYSA-N
- CC1C(NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1S(O)(=O)=O
MolClass #155437
WZPBZJONDBGPKJ-UHFFFAOYSA-N
- [Na+].[O-]C(=O)C1N2C(SC1(C)C)C(NC(=O)c1c(C)onc1c1ccccc1Cl)C2=O
MolClass #155438
SCLZRKVZRBKZCR-UHFFFAOYSA-M