Molecule card · MolClass #42548
852732
852732: 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
- 852732Mitochondrial Fusion · compound_name
- MolClass ID
- 42548
- InChIKey
- BFZRDCVWXLPSIZ-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)c3c2oc1ccccc1n2c(c3(C(=O)OC))Cl
- Standard InChI
- InChI=1S/C14H10ClNO5/c1-19-13(17)9-10(14(18)20-2)12-16(11(9)15)7-5-3-4-6-8(7)21-12/h3-6H,1-2H3
- Stored Murcko scaffold
- o1c2ccccc2n3cccc13
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 307.686 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.98
- 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 · 852732