Molecule card · MolClass #42169
22412250
22412250: 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
- 22412250Mitochondrial Fusion · compound_name
- MolClass ID
- 42169
- InChIKey
- OWKIGIGJTAAQJU-UHFFFAOYSA-N
- Canonical SMILES
- C=CCSC2=Nc1c(c(C)c(C)s1)C(=O)N2(N)
- Standard InChI
- InChI=1S/C11H13N3OS2/c1-4-5-16-11-13-9-8(10(15)14(11)12)6(2)7(3)17-9/h4H,1,5,12H2,2-3H3
- 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
- 4
- 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
- 112.23 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 267.373 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.816
- 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 · 22412250