Molecule card · MolClass #36743
4257483
4257483: 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
- 4257483Mitochondrial Fusion · compound_name
- MolClass ID
- 36743
- InChIKey
- Not recorded
- Canonical SMILES
- Cc3cc4C(C)CC(C)(C)N5C(=O)C2(C(C#N)=C(N)Oc1[nH]nc(C)c12)(c(c3)c45)
- Standard InChI
- null
- Stored Murcko scaffold
- n1cc2c(OC=CC32[CH]N4c5c(cccc53)CCC4)[nH]1
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.
- 4262767#36348
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 389.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.872
- 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 · 4257483