Molecule card · MolClass #51666
14732396
14732396: 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
- 14732396Mitochondrial Fusion · compound_name
- MolClass ID
- 51666
- InChIKey
- GFEUECMZJGEBGI-XFFZJAGNSA-N
- Canonical SMILES
- Cc2cc(C)c3NC(=O)C(=CC(=O)c1ccc(Br)s1)c3(c2)
- Standard InChI
- InChI=1S/C16H12BrNO2S/c1-8-5-9(2)15-10(6-8)11(16(20)18-15)7-12(19)13-3-4-14(17)21-13/h3-7H,1-2H3,(H,18,20)/b11-7-
- Stored Murcko scaffold
- s1cccc1[CH]C=C2[CH]Nc3ccccc23
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 362.242 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.863
- 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 · 14732396