Molecule card · MolClass #36788
847585
847585: 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
- 847585Mitochondrial Fusion · compound_name
- MolClass ID
- 36788
- InChIKey
- VYWCMAYQDDAZCV-UHFFFAOYSA-N
- Canonical SMILES
- C1CN(CCO1)c3nsnc3(OCc2cscn2)
- Standard InChI
- InChI=1S/C10H12N4O2S2/c1-3-15-4-2-14(1)9-10(13-18-12-9)16-5-8-6-17-7-11-8/h6-7H,1-5H2
- Stored Murcko scaffold
- n1snc(c1OCc2ncsc2)N3CCOCC3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.85 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.36 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.649
- 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 · 847585