Molecule card · MolClass #38819
3714379
3714379: 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
- 3714379Mitochondrial Fusion · compound_name
- MolClass ID
- 38819
- InChIKey
- XICMUUXCDJDZLA-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)nc(n1)SCC(=O)Nn2cnnc2
- Standard InChI
- InChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17)
- Stored Murcko scaffold
- n1ncn(c1)N[CH]CSc2ncccn2
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.
- 859283#40623
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 110.89 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.675
- 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 · 3714379