Molecule card · MolClass #44814
24791195
24791195: 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
- 24791195Mitochondrial Fusion · compound_name
- MolClass ID
- 44814
- InChIKey
- FJXPYEDWHISJSA-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)CN1C(N)=C(C(=O)N(C)C1(=O))c3nc(C(C)C)c(C(=O)c2ccccc2(F))s3
- Standard InChI
- InChI=1S/C22H25FN4O3S/c1-11(2)10-27-19(24)15(21(29)26(5)22(27)30)20-25-16(12(3)4)18(31-20)17(28)13-8-6-7-9-14(13)23/h6-9,11-12H,10,24H2,1-5H3
- Stored Murcko scaffold
- n1cncc(c1)-c2ncc(s2)[CH]c3ccccc3
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
- 7
- 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
- 124.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 444.524 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.661
- 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 · 24791195