Molecule card · MolClass #39220
3713922
3713922: 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
- 3713922Mitochondrial Fusion · compound_name
- MolClass ID
- 39220
- InChIKey
- KANYLSVHQLJLHA-UHFFFAOYSA-N
- Canonical SMILES
- CC1CCc2c(C1)sc3N=CN4CCS(=O)(=O)N=C4(c23)
- Standard InChI
- InChI=1S/C13H15N3O2S2/c1-8-2-3-9-10(6-8)19-13-11(9)12-15-20(17,18)5-4-16(12)7-14-13/h7-8H,2-6H2,1H3
- Stored Murcko scaffold
- N=1SCCN2C=Nc3sc4c(c3C12)CCCC4
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
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 98.72 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 309.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.108
- 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 · 3713922