Molecule card · MolClass #41483
14737659
14737659: 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
- 14737659Mitochondrial Fusion · compound_name
- MolClass ID
- 41483
- InChIKey
- GMCYFEQRZKIATC-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)CSc1nc(O)c3c(n1)N(c2ccccc2)C(=S)S3
- Standard InChI
- InChI=1S/C15H13N3O3S3/c1-2-21-10(19)8-23-14-16-12-11(13(20)17-14)24-15(22)18(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,16,17,20)
- Stored Murcko scaffold
- n1cnc2c(S[CH]N2c3ccccc3)c1
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.
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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 158.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 379.481 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.434
- 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 · 14737659