Molecule card · MolClass #45661
24817726
24817726: 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
- 24817726Mitochondrial Fusion · compound_name
- MolClass ID
- 45661
- InChIKey
- SYQJJQKLTVXVLC-MFOYZWKCSA-N
- Canonical SMILES
- CC(=NOC(=O)C1CC1)c2cc(no2)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C15H13ClN2O3/c1-9(17-21-15(19)11-2-3-11)14-8-13(18-20-14)10-4-6-12(16)7-5-10/h4-8,11H,2-3H2,1H3/b17-9-
- Stored Murcko scaffold
- N(O[CH]C1CC1)=Cc2onc(c2)-c3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 64.69 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.729 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.028
- 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 · 24817726