Molecule card · MolClass #35685
24790823
24790823: 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
- 24790823Mitochondrial Fusion · compound_name
- MolClass ID
- 35685
- InChIKey
- WAHMAFPGCLVVII-UHFFFAOYSA-N
- Canonical SMILES
- CSc3nc4N=C1CCCC(O)=C1C(c2cccs2)n4(n3)
- Standard InChI
- InChI=1S/C14H14N4OS2/c1-20-14-16-13-15-8-4-2-5-9(19)11(8)12(18(13)17-14)10-6-3-7-21-10/h3,6-7,12,19H,2,4-5H2,1H3
- Stored Murcko scaffold
- n1cnn2c1N=C3C(=CCCC3)C2c4sccc4
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 318.42 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.607
- 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 · 24790823