Molecule card · MolClass #24973
C270-0212
C270-0212: 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
- Imported compound names
- C270-0212Compound aggregation · compound_name
- MolClass ID
- 24973
- InChIKey
- WSRAEGPFBOQIDK-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1N3CCN(CCNC(=O)Nc2ccccc2)CC3)Cl
- Standard InChI
- InChI=1S/C20H25ClN4O/c1-16-7-8-17(21)15-19(16)25-13-11-24(12-14-25)10-9-22-20(26)23-18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H2,22,23,26)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]NCCN2CCN(c3ccccc3)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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 47.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.892 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.548
- 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.
Compound aggregation
Dataset #16 · C270-0212