Molecule card · MolClass #49758
24783599
24783599: 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
- 24783599Mitochondrial Fusion · compound_name
- MolClass ID
- 49758
- InChIKey
- KKXXDXPNGQYDTA-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC(Nc1ccc(cc1)NC(=O)c2cccs2)=S)c3ccccc3(F)
- Standard InChI
- InChI=1S/C19H14FN3O2S2/c20-15-5-2-1-4-14(15)17(24)23-19(26)22-13-9-7-12(8-10-13)21-18(25)16-6-3-11-27-16/h1-11H,(H,21,25)(H2,22,23,24,26)
- Stored Murcko scaffold
- s1cccc1[CH]Nc2ccc(cc2)N[CH]N[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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 130.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 399.465 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.639
- 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 · 24783599