Molecule card · MolClass #905
LOPAC 01339
LOPAC 01339: 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
- SU 6656Compound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 905
- InChIKey
- Not recorded
- Canonical SMILES
- CN(C)S(=O)(=O)c3ccc4NC(=O)C(=Cc1cc2CCCCc2([nH]1))c4(c3)
- Standard InChI
- null
- Stored Murcko scaffold
- c1ccc2C([CH]Nc2c1)=Cc3cc4c([nH]3)CCCC4
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.
- 5312137#9573
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.455 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.069
- 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 induced Neuronal Stem Cell Differentiation
Dataset #1 · 937