Molecule card · MolClass #39578
24817275
24817275: 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
- 24817275Mitochondrial Fusion · compound_name
- MolClass ID
- 39578
- InChIKey
- ZXYWDLRGCPHISU-UHFFFAOYSA-N
- Canonical SMILES
- Oc2cc(O)c(c1ccc(c(c1)Cl)Cl)c(n2)Cl
- Standard InChI
- InChI=1S/C11H6Cl3NO2/c12-6-2-1-5(3-7(6)13)10-8(16)4-9(17)15-11(10)14/h1-4H,(H2,15,16,17)
- Stored Murcko scaffold
- n1cccc(c1)-c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 53.35 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 290.53 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.581
- 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 · 24817275