Molecule card · MolClass #51301
17386135
17386135: 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
- 17386135Mitochondrial Fusion · compound_name
- MolClass ID
- 51301
- InChIKey
- PVYZOFQADQEVBE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCCC2=CCCCC2)Cc3ccccc3(F)
- Standard InChI
- InChI=1S/C24H29FN2O3S/c1-19-11-13-22(14-12-19)31(29,30)27(17-21-9-5-6-10-23(21)25)18-24(28)26-16-15-20-7-3-2-4-8-20/h5-7,9-14H,2-4,8,15-18H2,1H3,(H,26,28)
- Stored Murcko scaffold
- S(c1ccccc1)N(C[CH]NCCC2=CCCCC2)Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 10
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 74.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 444.564 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.748
- 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 · 17386135