Molecule card · MolClass #45649
4265803
4265803: 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
- 4265803Mitochondrial Fusion · compound_name
- MolClass ID
- 45649
- InChIKey
- WNKSYRQEWIMBSM-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cn(c(C)n1)C(=O)CN2C(=O)c3ccccc3(C2(=O))
- Standard InChI
- InChI=1S/C15H13N3O3/c1-9-7-17(10(2)16-9)13(19)8-18-14(20)11-5-3-4-6-12(11)15(18)21/h3-7H,8H2,1-2H3
- Stored Murcko scaffold
- n1ccn(c1)[CH]Cn2cc3ccccc3c2
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.
- 14724260#47513
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 72.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 283.283 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.715
- 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 · 4265803