Molecule card · MolClass #46326
17512331
17512331: 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
- 17512331Mitochondrial Fusion · compound_name
- MolClass ID
- 46326
- InChIKey
- Not recorded
- Canonical SMILES
- O=C5NC(=O)N(c1cccc(c1)Cl)C(=O)C5(=Cc2ccc(o2)Sc3nc4ccccc4([nH]3))
- Standard InChI
- null
- Stored Murcko scaffold
- n1c(Sc2oc(cc2)C=C3[CH]N[CH]N([CH]3)c4ccccc4)[nH]c5ccccc15
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 133.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 464.883 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.232
- 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 · 17512331