Molecule card · MolClass #1064
LOPAC 01241
LOPAC 01241: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
7 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Triflupromazine hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_nameTriflupromazine hydrochlorideFlucanozole Synergizer · compound_nameTriflupromazine hydrochlorideCompound accumulation in C. elegans · compound_nametrifluopromazineBlood Brain Barrier · compound_name66069P.falciparum Sensitivity · compound_name103179080Liver Toxcicity · compound_name
- MolClass ID
- 1064
- InChIKey
- XSCGXQMFQXDFCW-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)CCCN3c1ccccc1Sc2ccc(cc23)C(F)(F)F
- Standard InChI
- InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
- Stored Murcko scaffold
- S1c2ccccc2Nc3ccccc13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- LOPAC 00253#500
- LOPAC 00147#826
- LOPAC 01148#887
- LOPAC 01155#918
- Ethopropazine hydrochloride#1665
- Methotrimeprazine maleat salt#2051
- Trimeprazine tartrate#2059
- Acetopromazine maleate salt#2062
- PROPIOMAZINE MALEATE#2115
- 92-84-2#5098
- Nor-2-chlorpromazine#9154
- Desmonomethylpromazine#9252
- Nor-1-chlorpromazine#9344
- Promethazine#9345
- 652628#11011
- 3573-0047#24522
- 14743551#33120
- Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C#153649
- Cl.CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12#153713
- Cl.CN(C)CCCN1c2ccccc2Sc2ccccc12#154040
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 31.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.419 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.226
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Compound induced Neuronal Stem Cell Differentiation
Dataset #1 · 1104
Flucanozole Synergizer
Dataset #3 · Triflupromazine hydrochloride
Compound accumulation in C. elegans
Dataset #4 · 10.0833906146445
Blood Brain Barrier
Dataset #7 · trifluopromazine
P.falciparum Sensitivity
Dataset #8 · 66069
BetaCell Transdifferentiation
Dataset #11 · 1401
Liver Toxcicity
Dataset #17 · 103179080