Molecule card · MolClass #13502
1718146
1718146: 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
- 13502
- InChIKey
- SVLXMNLUYODRLN-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C(=O)Nc2ccc(cc2)c3nc4cc(ccc4(o3))Cl
- Standard InChI
- InChI=1S/C21H15ClN2O2/c1-13-3-2-4-15(11-13)20(25)23-17-8-5-14(6-9-17)21-24-18-12-16(22)7-10-19(18)26-21/h2-12H,1H3,(H,23,25)
- Stored Murcko scaffold
- n1c(oc2ccccc12)-c3ccc(cc3)N[CH]c4ccccc4
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.
- 1516935#12600
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
- 55.13 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.81 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.91
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1718146