Molecule card · MolClass #50478
17511734
17511734: 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
- 17511734Mitochondrial Fusion · compound_name
- MolClass ID
- 50478
- InChIKey
- YIQSRJVISFAIOK-UHFFFAOYSA-N
- Canonical SMILES
- CC1(C)(CC(CCS1)c2nc(cs2)c3ccccc3)
- Standard InChI
- InChI=1S/C16H19NS2/c1-16(2)10-13(8-9-19-16)15-17-14(11-18-15)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
- 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.
- 17403502#51155
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
- 289.462 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.586
- 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 · 17511734