Molecule card · MolClass #43663
17410990
17410990: 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
- 17410990Mitochondrial Fusion · compound_name
- MolClass ID
- 43663
- InChIKey
- KYIWXQOFAPTVCE-UHFFFAOYSA-N
- Canonical SMILES
- O=S(=O)(c1ccc(F)cc1)n2ccc(n2)c4cnc(c3ccccc3)s4
- Standard InChI
- InChI=1S/C18H12FN3O2S2/c19-14-6-8-15(9-7-14)26(23,24)22-11-10-16(21-22)17-12-20-18(25-17)13-4-2-1-3-5-13/h1-12H
- Stored Murcko scaffold
- n1cc(sc1-c2ccccc2)-c3nn(Sc4ccccc4)cc3
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.
- 17411347#31101
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 101.47 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 385.438 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.433
- 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 · 17410990