Molecule card · MolClass #51901
14721687
14721687: 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
- 14721687Mitochondrial Fusion · compound_name
- MolClass ID
- 51901
- InChIKey
- SJNIJKHTTZEWSW-UHFFFAOYSA-N
- Canonical SMILES
- CCCCCCCSc1nc(N)sn1
- Standard InChI
- InChI=1S/C9H17N3S2/c1-2-3-4-5-6-7-13-9-11-8(10)14-12-9/h2-7H2,1H3,(H2,10,11,12)
- Stored Murcko scaffold
- n1scnc1
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.
- 2081011#11609
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 105.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 231.384 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.376
- 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 · 14721687