Molecule card · MolClass #92600
AZM610
AZM610: 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
- 92600
- InChIKey
- RBHNFGMGFJHNPX-UHFFFAOYSA-N
- Canonical SMILES
- CCCC(=O)Nc1ccc(c(c1)c2nc3ncccc3(o2))Cl
- Standard InChI
- InChI=1S/C16H14ClN3O2/c1-2-4-14(21)19-10-6-7-12(17)11(9-10)16-20-15-13(22-16)5-3-8-18-15/h3,5-9H,2,4H2,1H3,(H,19,21)
- Stored Murcko scaffold
- n1cccc2oc(nc12)-c3ccccc3
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.
- 1419613#15418
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.334
- 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 · AZM610