Molecule card · MolClass #42196
24816313
24816313: 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
- 24816313Mitochondrial Fusion · compound_name
- MolClass ID
- 42196
- InChIKey
- IDFIYCKEDYYVKR-UHFFFAOYSA-N
- Canonical SMILES
- CCSc2ccc3nnc(c1cccs1)n3(n2)
- Standard InChI
- InChI=1S/C11H10N4S2/c1-2-16-10-6-5-9-12-13-11(15(9)14-10)8-4-3-7-17-8/h3-7H,2H2,1H3
- Stored Murcko scaffold
- n1nc(-c2sccc2)n3ncccc13
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.
No other molecules currently have this stored 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
- 96.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.356 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.146
- 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 · 24816313