Molecule card · MolClass #6354
24305-27-9
24305-27-9: 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
- 6354
- InChIKey
- Not recorded
- Canonical SMILES
- NC(=O)C3CCCN3(C(=O)C(Cc1c[nH]cn1)NC(=O)C2CCC(=O)N2)
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]cc1CC([CH]N2CCCC2)N[CH]C3N[CH]CC3
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.
- 24305-27-9#7647
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 9
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 4
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 150.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -2.225
- 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.
Toxicity Benchmark
Dataset #5 · 24305-27-9