Molecule card · MolClass #41091
24810932
24810932: 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
- 24810932Mitochondrial Fusion · compound_name
- MolClass ID
- 41091
- InChIKey
- UNAHYOFZPLPNBB-UHFFFAOYSA-N
- Canonical SMILES
- COC2(NC(=O)c1ccccc1)(C(C)=CC(=O)C=C2(C))
- Standard InChI
- InChI=1S/C16H17NO3/c1-11-9-14(18)10-12(2)16(11,20-3)17-15(19)13-7-5-4-6-8-13/h4-10H,1-3H3,(H,17,19)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2C=C[CH]C=C2
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.
- 4246133#39451
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 55.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 271.312 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.308
- 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 · 24810932