Molecule card · MolClass #46882
24818057
24818057: 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
- 24818057Mitochondrial Fusion · compound_name
- MolClass ID
- 46882
- InChIKey
- SOUFFSDRIPGARF-XFFZJAGNSA-N
- Canonical SMILES
- CON=C(C)c1ccc(CC#N)s1
- Standard InChI
- InChI=1S/C9H10N2OS/c1-7(11-12-2)9-4-3-8(13-9)5-6-10/h3-4H,5H2,1-2H3/b11-7-
- Stored Murcko scaffold
- s1cccc1
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
- 1
- 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
- 73.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 194.255 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.962
- 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 · 24818057