Molecule card · MolClass #47232
14726502
14726502: 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
- 14726502Mitochondrial Fusion · compound_name
- MolClass ID
- 47232
- InChIKey
- BCTVPRQROHASNP-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)NC3CC(=O)N(CCc2ccccc2)C3(=O)
- Standard InChI
- InChI=1S/C19H20N2O3/c1-24-16-9-7-15(8-10-16)20-17-13-18(22)21(19(17)23)12-11-14-5-3-2-4-6-14/h2-10,17,20H,11-13H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)NC2[CH]N([CH]C2)CCc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.64 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.787
- 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.
Mitochondrial Fusion
Dataset #19 · 14726502