Molecule card · MolClass #36263
24806390
24806390: 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
- 24806390Mitochondrial Fusion · compound_name
- MolClass ID
- 36263
- InChIKey
- QWMOYZZAFHNQKO-UHFFFAOYSA-N
- Canonical SMILES
- CCc1nc3c(cc1(C))c2nc(O)cc(O)c2s3
- Standard InChI
- InChI=1S/C13H12N2O2S/c1-3-8-6(2)4-7-11-12(18-13(7)14-8)9(16)5-10(17)15-11/h4-5H,3H2,1-2H3,(H2,15,16,17)
- Stored Murcko scaffold
- n1cccc2c1sc3cccnc32
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.
- 14723648#26880
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 94.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.519
- 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 · 24806390