Molecule card · MolClass #39063
14745215
14745215: 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
- 14745215Mitochondrial Fusion · compound_name
- MolClass ID
- 39063
- InChIKey
- Not recorded
- Canonical SMILES
- CCOc4ccc(C=CC3=Cc2c(C#N)c(NC(=O)CSc1n[nH]c(N)n1)sc2C(C)(C)C3)cc4
- Standard InChI
- null
- Stored Murcko scaffold
- n1c[nH]nc1SC[CH]Nc2sc3c(c2)C=C(C=Cc4ccccc4)CC3
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
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 9
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 183.25 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 506.646 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.801
- 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 · 14745215