Molecule card · MolClass #47329
24818502
24818502: 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
- 24818502Mitochondrial Fusion · compound_name
- MolClass ID
- 47329
- InChIKey
- FIXULQCTCUUMMG-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)C2=CN(c1ccc(cc1)Cl)C(=O)c3ccccc23
- Standard InChI
- InChI=1S/C17H13ClN2O2/c1-19-16(21)15-10-20(12-8-6-11(18)7-9-12)17(22)14-5-3-2-4-13(14)15/h2-10H,1H3,(H,19,21)
- Stored Murcko scaffold
- c1ccc(cc1)N2C=Cc3ccccc3[CH]2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.751 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.208
- 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 · 24818502