Molecule card · MolClass #92248
AZM240
AZM240: 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
- 92248
- InChIKey
- HKXOXDHVUZHJFV-UHFFFAOYSA-N
- Canonical SMILES
- NC(=N)c2cc1c(cccc1s2)c3ccccc3
- Standard InChI
- InChI=1S/C15H12N2S/c16-15(17)14-9-12-11(7-4-8-13(12)18-14)10-5-2-1-3-6-10/h1-9H,(H3,16,17)
- Stored Murcko scaffold
- s1ccc2c1cccc2-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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.336 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.972
- 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 · AZM240