Molecule card · MolClass #39102
24785834
24785834: 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
- 24785834Mitochondrial Fusion · compound_name
- MolClass ID
- 39102
- InChIKey
- FDBOPXHOMCJBFE-UHFFFAOYSA-N
- Canonical SMILES
- CCc2cc1c(ncnc1s2)SCC#N
- Standard InChI
- InChI=1S/C10H9N3S2/c1-2-7-5-8-9(14-4-3-11)12-6-13-10(8)15-7/h5-6H,2,4H2,1H3
- 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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 103.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 235.331 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.756
- 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 · 24785834