Molecule card · MolClass #46441
14719152
14719152: 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
- 14719152Mitochondrial Fusion · compound_name
- MolClass ID
- 46441
- InChIKey
- GHJNCYVZEJUMSB-UHFFFAOYSA-N
- Canonical SMILES
- CC(O)CNc2ncnc1c2(cc(C)s1)
- Standard InChI
- InChI=1S/C10H13N3OS/c1-6(14)4-11-9-8-3-7(2)15-10(8)13-5-12-9/h3,5-6,14H,4H2,1-2H3,(H,11,12,13)
- 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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 86.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.296 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.569
- 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 · 14719152