Molecule card · MolClass #42503
14745846
14745846: 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
- 14745846Mitochondrial Fusion · compound_name
- MolClass ID
- 42503
- InChIKey
- RUZNNFFRWPDTFQ-UHFFFAOYSA-N
- Canonical SMILES
- Oc1c(cc(cc1Br)C2NC(=NO2)c3ccccc3Cl)Br
- Standard InChI
- InChI=1S/C14H9Br2ClN2O2/c15-9-5-7(6-10(16)12(9)20)14-18-13(19-21-14)8-3-1-2-4-11(8)17/h1-6,14,20H,(H,18,19)
- Stored Murcko scaffold
- N=1OC(NC1c2ccccc2)c3ccccc3
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.494 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 6.079
- 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 · 14745846