Molecule card · MolClass #63
LOPAC 00658
LOPAC 00658: 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
- Amiprilose hydrochlorideCompound induced Neuronal Stem Cell Differentiation · compound_name
- MolClass ID
- 63
- InChIKey
- YXBQLONCIPUQKO-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)CCCOC2C(OC1OC(C)(C)OC12)C(O)CO
- Standard InChI
- InChI=1S/C14H27NO6/c1-14(2)20-12-11(18-7-5-6-15(3)4)10(9(17)8-16)19-13(12)21-14/h9-13,16-17H,5-8H2,1-4H3
- Stored Murcko scaffold
- O1COC2CCOC12
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 305.368 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.841
- 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 · 65