Molecule card · MolClass #43253
17506075
17506075: 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
- 17506075Mitochondrial Fusion · compound_name
- MolClass ID
- 43253
- InChIKey
- Not recorded
- Canonical SMILES
- Cc5noc(NS(=O)(=O)c1ccc(cc1)NC(=O)CSc4n[nH]c3c(nc2ccccc23)n4)c5(C)
- Standard InChI
- null
- Stored Murcko scaffold
- n1oc(cc1)NSc2ccc(cc2)N[CH]CSc3n[nH]c4-c(n3)nc5ccccc54
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 189.44 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 509.564 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.463
- 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 · 17506075