Molecule card · MolClass #92169
AZM151
AZM151: 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
- 92169
- InChIKey
- RFNMMSVHBUVLOM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc2c(c1)c(c(CC(=O)O)n2(C))Sc3ccccc3
- Standard InChI
- InChI=1S/C18H17NO2S/c1-12-8-9-15-14(10-12)18(16(19(15)2)11-17(20)21)22-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21)
- Stored Murcko scaffold
- S(c1ccccc1)c2c[nH]c3ccccc23
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.53 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.4 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.503
- 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 · AZM151