Molecule card · MolClass #38583
24814339
24814339: 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
- 24814339Mitochondrial Fusion · compound_name
- MolClass ID
- 38583
- InChIKey
- Not recorded
- Canonical SMILES
- CC(C)CS(=O)(=O)C4=NSC3=NC(=O)C(=Cc2c(C)[nH]c1ccccc12)C(=N)N34
- Standard InChI
- null
- Stored Murcko scaffold
- N=1SC2=N[CH]C(=Cc3c[nH]c4ccccc34)[CH]N2C1
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
- 7
- 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
- 152.49 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 429.519 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.727
- 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 · 24814339