Molecule card · MolClass #43557
24780927
24780927: 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
- 24780927Mitochondrial Fusion · compound_name
- MolClass ID
- 43557
- InChIKey
- JWDIVTBTLNMKFA-UHFFFAOYSA-N
- Canonical SMILES
- CCCC1NC(=NC(C)=C1(C(C)=O))S
- Standard InChI
- InChI=1S/C10H16N2OS/c1-4-5-8-9(7(3)13)6(2)11-10(14)12-8/h8H,4-5H2,1-3H3,(H2,11,12,14)
- Stored Murcko scaffold
- N=1C=CCNC1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.26 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 212.313 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.067
- 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 · 24780927