Molecule card · MolClass #44541
24813138
24813138: 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
- 24813138Mitochondrial Fusion · compound_name
- MolClass ID
- 44541
- InChIKey
- BSAOFABJBGIAGV-UHFFFAOYSA-N
- Canonical SMILES
- Oc2ccccc2(NC(=O)c1nc(ccc1Cl)Cl)
- Standard InChI
- InChI=1S/C12H8Cl2N2O2/c13-7-5-6-10(14)16-11(7)12(18)15-8-3-1-2-4-9(8)17/h1-6,17H,(H,15,18)
- Stored Murcko scaffold
- n1ccccc1[CH]Nc2ccccc2
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.
- 801271#10686
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 62.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.11 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.186
- 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 · 24813138