Molecule card · MolClass #45913
24824405
24824405: 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
- 24824405Mitochondrial Fusion · compound_name
- MolClass ID
- 45913
- InChIKey
- VZKWQROWAWQPCS-UHFFFAOYSA-N
- Canonical SMILES
- O=C(O)Cc1ccc(cc1)OCc2ccc(nc2)Cl
- Standard InChI
- InChI=1S/C14H12ClNO3/c15-13-6-3-11(8-16-13)9-19-12-4-1-10(2-5-12)7-14(17)18/h1-6,8H,7,9H2,(H,17,18)
- Stored Murcko scaffold
- n1cccc(c1)COc2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.42 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.703 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.533
- 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 · 24824405