Molecule card · MolClass #1024
LOPAC 01202
LOPAC 01202: 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
- SeglitideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 1024
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)C5NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(C)N(C)C(=O)C(Cc4ccccc4)NC5(=O)
- Standard InChI
- null
- Stored Murcko scaffold
- [N]1[CH]C(N[CH]CN[CH]CN[CH]C(N[CH]C(N[CH]C1)Cc2ccccc2)Cc3c[nH]c4ccccc43)Cc5ccccc5
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.
- 25076018#9387
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 14
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 8
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 227.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 808.967 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.042
- 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 · 1063