Molecule card · MolClass #50837
17432524
17432524: 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
- 17432524Mitochondrial Fusion · compound_name
- MolClass ID
- 50837
- InChIKey
- OCMYHFQTAXFURL-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cccc(C)c2(NC(NC1CCCCC1)=S)
- Standard InChI
- InChI=1S/C15H22N2S/c1-11-7-6-8-12(2)14(11)17-15(18)16-13-9-4-3-5-10-13/h6-8,13H,3-5,9-10H2,1-2H3,(H2,16,17,18)
- 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.
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 56.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.415 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.971
- 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 · 17432524