Molecule card · MolClass #12932
1173637
1173637: 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
- 12932
- InChIKey
- PRZVBHGCKWIOFQ-UHFFFAOYSA-N
- Canonical SMILES
- Oc4ccc1ccccc1c4(CN2CCC(CC2)Cc3ccccc3)
- Standard InChI
- InChI=1S/C23H25NO/c25-23-11-10-20-8-4-5-9-21(20)22(23)17-24-14-12-19(13-15-24)16-18-6-2-1-3-7-18/h1-11,19,25H,12-17H2
- Stored Murcko scaffold
- c1ccc(cc1)CC2CCN(Cc3cccc4ccccc43)CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 331.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.679
- 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 · 1173637