Molecule card · MolClass #38840
3714955
3714955: 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
- 3714955Mitochondrial Fusion · compound_name
- MolClass ID
- 38840
- InChIKey
- SHWYCVCMULJOPG-UHFFFAOYSA-N
- Canonical SMILES
- Cn1nnnc1SCC2=CC(=O)N3C=CSC3(=N2)
- Standard InChI
- InChI=1S/C9H8N6OS2/c1-14-9(11-12-13-14)18-5-6-4-7(16)15-2-3-17-8(15)10-6/h2-4H,5H2,1H3
- Stored Murcko scaffold
- n1n[nH]c(n1)SCC=2N=C3SC=CN3[CH]C2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 126.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.332 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.604
- 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 · 3714955