Molecule card · MolClass #50825
17431902
17431902: 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
- 17431902Mitochondrial Fusion · compound_name
- MolClass ID
- 50825
- InChIKey
- DSKKVAAOEAPFKD-UHFFFAOYSA-N
- Canonical SMILES
- COc2cc(OC)c(cc2(NC(Nc1cc(cc(c1)Cl)Cl)=S))Cl
- Standard InChI
- InChI=1S/C15H13Cl3N2O2S/c1-21-13-7-14(22-2)12(6-11(13)18)20-15(23)19-10-4-8(16)3-9(17)5-10/h3-7H,1-2H3,(H2,19,20,23)
- Stored Murcko scaffold
- c1ccc(cc1)N[CH]Nc2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.701 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.953
- 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 · 17431902