Molecule card · MolClass #42455
17508815
17508815: 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
- 17508815Mitochondrial Fusion · compound_name
- MolClass ID
- 42455
- InChIKey
- ZOTNKWUZJMXHQA-UHFFFAOYSA-N
- Canonical SMILES
- CC1=CC(=O)N(C=N1)C(NC(=O)c2ccco2)C(Cl)(Cl)Cl
- Standard InChI
- InChI=1S/C12H10Cl3N3O3/c1-7-5-9(19)18(6-16-7)11(12(13,14)15)17-10(20)8-3-2-4-21-8/h2-6,11H,1H3,(H,17,20)
- Stored Murcko scaffold
- N=1C=C[CH]N(C1)CN[CH]c2occc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.91 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 350.585 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.078
- 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 · 17508815