Molecule card · MolClass #666
LOPAC 01029
LOPAC 01029: 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
- NocodazoleCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 666
- InChIKey
- Not recorded
- Canonical SMILES
- COC(=O)Nc1[nH]c2ccc(cc2(n1))C(=O)c3cccs3
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]c2ccc([CH]c3sccc3)cc12
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.
- Nocodazole#1487
- Nocodazole#2095
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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 112.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.322 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.279
- 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 · 693