Molecule card · MolClass #92617
AZM627
AZM627: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- MolClass ID
- 92617
- InChIKey
- LMFNTPHSFMIWNQ-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc3c(cc1(OCCN(C)CCO))ncc(C(N)=O)c3(Nc2ccc(F)c(c2)Cl)
- Standard InChI
- InChI=1S/C22H24ClFN4O4/c1-28(5-7-29)6-8-32-20-11-18-14(10-19(20)31-2)21(15(12-26-18)22(25)30)27-13-3-4-17(24)16(23)9-13/h3-4,9-12,29H,5-8H2,1-2H3,(H2,25,30)(H,26,27)
- Stored Murcko scaffold
- n1ccc(Nc2ccccc2)c3ccccc13
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.
- Glafenine hydrochloride#1600
- Amodiaquin dihydrochloride dihydrate#1627
- 1012021#16577
- 1941893#17043
- 4358-1526#24713
- 4358-4408#24714
- 24803827#32226
- 17509937#50536
- 17509580#50537
- KM 11080#53774
- KM 11072#80554
- Cl.OCC(O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12#155331
- O.O.Cl.Cl.CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O#155344
- CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O.Cl.Cl#155746
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 109.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 462.903 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.142
- 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.
Microsome Clearance (AZ Hackathon)
Dataset #31 · AZM627