Molecule card · MolClass #39231
24816428
24816428: 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
- 24816428Mitochondrial Fusion · compound_name
- MolClass ID
- 39231
- InChIKey
- WNTYNPBXUFEZMF-UHFFFAOYSA-N
- Canonical SMILES
- Cc1csc(n1)NC(=O)CSC2=NN=C(C)C(=O)N2(N)
- Standard InChI
- InChI=1S/C10H12N6O2S2/c1-5-3-19-9(12-5)13-7(17)4-20-10-15-14-6(2)8(18)16(10)11/h3H,4,11H2,1-2H3,(H,12,13,17)
- Stored Murcko scaffold
- n1nc(ncc1)SC[CH]Nc2nccs2
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
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 166.58 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.374 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.03
- 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 · 24816428