Molecule card · MolClass #35963
22414135
22414135: 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
- 22414135Mitochondrial Fusion · compound_name
- MolClass ID
- 35963
- InChIKey
- JUAZIIXNHHYISS-UHFFFAOYSA-N
- Canonical SMILES
- Cc2c(CC(Cl)(Cl)Cl)c1C(=O)CC(C)(C)Cc1n2(O)
- Standard InChI
- InChI=1S/C13H16Cl3NO2/c1-7-8(4-13(14,15)16)11-9(17(7)19)5-12(2,3)6-10(11)18/h19H,4-6H2,1-3H3
- Stored Murcko scaffold
- c1cc2[CH]CCCc2[nH]1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 42.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.631 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.091
- 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 · 22414135