Molecule card · MolClass #44153
24795626
24795626: 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
- 24795626Mitochondrial Fusion · compound_name
- MolClass ID
- 44153
- InChIKey
- JRIGEBBJVSIXCD-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nc(NNC(C)=O)sc1(C)
- Standard InChI
- InChI=1S/C9H13N3O3S/c1-4-15-8(14)7-5(2)16-9(10-7)12-11-6(3)13/h4H2,1-3H3,(H,10,12)(H,11,13)
- Stored Murcko scaffold
- n1cscc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 108.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 243.284 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.758
- 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 · 24795626