Molecule card · MolClass #12526
1302919
1302919: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 17505981Mitochondrial Fusion · compound_name
- MolClass ID
- 12526
- InChIKey
- UYAJPYFQBAOQTC-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)CCC2NC(C)CCC2(O)
- Standard InChI
- InChI=1S/C15H17NO2/c1-11-3-10-15(17)14(16-11)9-6-12-4-7-13(18-2)8-5-12/h3-5,7-8,10,17H,6,9H2,1-2H3
- Stored Murcko scaffold
- n1ccccc1CCc2ccccc2
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.302 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.904
- 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.
Xenopus Actin Polymerization
Dataset #12 · 1302919
Mitochondrial Fusion
Dataset #19 · 17505981