Molecule card · MolClass #46580
14731257
14731257: 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
- 14731257Mitochondrial Fusion · compound_name
- MolClass ID
- 46580
- InChIKey
- ZRSBKCHWRILEAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nn(c(C)c1Br)C(=O)c2ccco2
- Standard InChI
- InChI=1S/C10H9BrN2O2/c1-6-9(11)7(2)13(12-6)10(14)8-4-3-5-15-8/h3-5H,1-2H3
- Stored Murcko scaffold
- n1cccn1[CH]c2occc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 48.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 269.095 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.946
- 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 · 14731257