Molecule card · MolClass #49183
24819933
24819933: 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
- 24819933Mitochondrial Fusion · compound_name
- MolClass ID
- 49183
- InChIKey
- UFHXMGXPCFKYJD-UHFFFAOYSA-N
- Canonical SMILES
- C=CCn1c(nnc1S)c2csc(n2)n3nc(C)cc3C(F)(F)F
- Standard InChI
- InChI=1S/C13H11F3N6S2/c1-3-4-21-10(18-19-11(21)23)8-6-24-12(17-8)22-9(13(14,15)16)5-7(2)20-22/h3,5-6H,1,4H2,2H3,(H,19,23)
- Stored Murcko scaffold
- n1nc([nH]c1)-c2nc(sc2)-n3nccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.46 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.395 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.462
- 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 · 24819933