Molecule card · MolClass #656
LOPAC 01022
LOPAC 01022: 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
- L-750,667 trihydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 656
- InChIKey
- Not recorded
- Canonical SMILES
- c3cnc4[nH]cc(CN1CCN(CC1)c2ccc(cc2)I)c4(c3)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cccc2c1[nH]cc2CN3CCN(c4ccccc4)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.
- LOPAC 00290#723
- 11957618#9446
- 11957592#9453
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 35.16 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 418.275 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.356
- 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 · 683