Molecule card · MolClass #92101
AZM37
AZM37: 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
- 92101
- InChIKey
- MQYJPACEBWKWEH-UHFFFAOYSA-N
- Canonical SMILES
- NC(=O)c2c(N)cc(c1ccc(cc1)Cl)s2
- Standard InChI
- InChI=1S/C11H9ClN2OS/c12-7-3-1-6(2-4-7)9-5-8(13)10(16-9)11(14)15/h1-5H,13H2,(H2,14,15)
- Stored Murcko scaffold
- s1cccc1-c2ccccc2
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.
- methyl 5-(4-chlorophenyl)thiophene-2-carboxylate#2090
- 1920178#13457
- 1921733#13576
- 14720540#33630
- 4244325#39156
- 24836750#43348
- 24829370#47900
- 14745915#48519
- T1452#79189
- GK 03027#80961
- AZM100#92130
- AZM135#92156
- AZM139#92160
- AZM140#92161
- AZM159#92177
- AZM385#92387
- CC(C)(C)c1ccc(cc1)c1sc(C(N)=O)c(N)c1#154502
- COc1ccc(cc1)c1sc(cc1)C=C(C#N)C#N#154873
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- 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
- 97.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 252.721 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.095
- 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 · AZM37