Molecule card · MolClass #38005
24813256
24813256: 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
- 24813256Mitochondrial Fusion · compound_name
- MolClass ID
- 38005
- InChIKey
- Not recorded
- Canonical SMILES
- CCOc1cc(cc(c1(O))[N+](=O)[O-])C4C(C#N)=C(N)Oc3[nH]nc(c2ccncc2)c34
- Standard InChI
- null
- Stored Murcko scaffold
- n1ccc(cc1)-c2n[nH]c3OC=CC(c4ccccc4)c23
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.
- 4249750#40363
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 173.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.379 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.378
- 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 · 24813256