Molecule card · MolClass #1011
LOPAC 01186
LOPAC 01186: 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
- RutaecarpineCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 1011
- InChIKey
- Not recorded
- Canonical SMILES
- O=C2c5ccccc5(N=C3c4[nH]c1ccccc1c4(CCN23))
- Standard InChI
- null
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N3C1c4[nH]c5ccccc5c4CC3
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.
- 65752#9676
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 287.316 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.032
- 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 · 1049