Molecule card · MolClass #43856
14740769
14740769: 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
- 14740769Mitochondrial Fusion · compound_name
- MolClass ID
- 43856
- InChIKey
- NOVLIIYOFSFRKJ-DEDYPNTBSA-N
- Canonical SMILES
- CC3(C)(C1(C)(CCC3(CC1(=NO))(C(=O)Nc2ccccc2Br)))
- Standard InChI
- InChI=1S/C17H21BrN2O2/c1-15(2)16(3)8-9-17(15,10-13(16)20-22)14(21)19-12-7-5-4-6-11(12)18/h4-7,22H,8-10H2,1-3H3,(H,19,21)/b20-13+
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]C23C[CH]C(CC2)C3
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 61.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 365.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.269
- 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 · 14740769