Molecule card · MolClass #44587
4260902
4260902: 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
- 4260902Mitochondrial Fusion · compound_name
- MolClass ID
- 44587
- InChIKey
- SXQISXMEDDDZKV-UHFFFAOYSA-N
- Canonical SMILES
- CCN2C=Nc1c(c(C)c(C(=O)O)s1)C2(=O)
- Standard InChI
- InChI=1S/C10H10N2O3S/c1-3-12-4-11-8-6(9(12)13)5(2)7(16-8)10(14)15/h4H,3H2,1-2H3,(H,14,15)
- Stored Murcko scaffold
- n1cnc2sccc2c1
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
- 5
- 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
- 98.21 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.343
- 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 · 4260902