Molecule card · MolClass #43921
24781909
24781909: 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
- 24781909Mitochondrial Fusion · compound_name
- MolClass ID
- 43921
- InChIKey
- MAPCYWNEYALWSN-UHFFFAOYSA-N
- Canonical SMILES
- CSc1nncc(n1)c2ccccc2
- Standard InChI
- InChI=1S/C10H9N3S/c1-14-10-12-9(7-11-13-10)8-5-3-2-4-6-8/h2-7H,1H3
- Stored Murcko scaffold
- n1ncc(nc1)-c2ccccc2
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.
- 4263882#46431
- CCSc1nncc(n1)c1ccccc1#151382
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 203.265 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.759
- 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 · 24781909