Molecule card · MolClass #51155
17403502
17403502: 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
- 17403502Mitochondrial Fusion · compound_name
- MolClass ID
- 51155
- InChIKey
- XLBNCEUQLFAOFQ-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(CCS1)c2nc(cs2)c3ccc(cc3)Cl)
- Standard InChI
- InChI=1S/C16H18ClNS2/c1-16(2)9-12(7-8-20-16)15-18-14(10-19-15)11-3-5-13(17)6-4-11/h3-6,10,12H,7-9H2,1-2H3
- Stored Murcko scaffold
- n1c(scc1-c2ccccc2)C3CCSCC3
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.
- 17511734#50478
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 66.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 323.907 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.208
- 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 · 17403502