Molecule card · MolClass #47821
24825879
24825879: 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
- 24825879Mitochondrial Fusion · compound_name
- MolClass ID
- 47821
- InChIKey
- FPVMVMUWSFVHBJ-BQYQJAHWSA-N
- Canonical SMILES
- O=C(C=Cc2c(nc1ccccn12)Cl)N3CCCCC3
- Standard InChI
- InChI=1S/C15H16ClN3O/c16-15-12(19-11-5-2-6-13(19)17-15)7-8-14(20)18-9-3-1-4-10-18/h2,5-8,11H,1,3-4,9-10H2/b8-7+
- Stored Murcko scaffold
- n1cc(C=C[CH]N2CCCCC2)n3ccccc13
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 37.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 289.761 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.327
- 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 · 24825879