Molecule card · MolClass #333
LOPAC 00025
LOPAC 00025: 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
- 8-Cyclopentyl-1,3-dipropylxanthineCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 333
- InChIKey
- Not recorded
- Canonical SMILES
- CCCN2C(=O)c1[nH]c(nc1N(CCC)C2(=O))C3CCCC3
- Standard InChI
- null
- Stored Murcko scaffold
- n1cnc2nc([nH]c2c1)C3CCCC3
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 00065#343
- 1917#9730
- 1329#9743
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.114
- 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 · 345