Molecule card · MolClass #37338
24824262
24824262: 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
- 24824262Mitochondrial Fusion · compound_name
- MolClass ID
- 37338
- InChIKey
- WEPCMOYNEXOHLV-UHFFFAOYSA-N
- Canonical SMILES
- Cc3nnc(NC(=O)CSC2=NN1CCCC(=O)N=C1S2)s3
- Standard InChI
- InChI=1S/C11H12N6O2S3/c1-6-14-15-9(21-6)12-8(19)5-20-11-16-17-4-2-3-7(18)13-10(17)22-11/h2-5H2,1H3,(H,12,15,19)
- Stored Murcko scaffold
- n1nc(sc1)N[CH]CSC2=NN3C(=N[CH]CCC3)S2
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.
- 24824039#38423
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 8
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 178.75 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 356.451 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.262
- 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 · 24824262