Molecule card · MolClass #41032
4263349
4263349: 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
- 4263349Mitochondrial Fusion · compound_name
- MolClass ID
- 41032
- InChIKey
- BKWOSDQVFGPKFT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(C(=O)NCc1cc(oc1(C))C(=O)O)c(C)o2
- Standard InChI
- InChI=1S/C14H15NO5/c1-7-4-11(9(3)19-7)13(16)15-6-10-5-12(14(17)18)20-8(10)2/h4-5H,6H2,1-3H3,(H,15,16)(H,17,18)
- Stored Murcko scaffold
- o1ccc(c1)[CH]NCc2cocc2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 92.68 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.273 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.72
- 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 · 4263349