Molecule card · MolClass #37277
14743929
14743929: 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
- 14743929Mitochondrial Fusion · compound_name
- MolClass ID
- 37277
- InChIKey
- GKOSTBSFAISSOK-UHFFFAOYSA-N
- Canonical SMILES
- CN(C)c1ccc(cc1)N2CN=C3N(C2)C(=O)CS3
- Standard InChI
- InChI=1S/C13H16N4OS/c1-15(2)10-3-5-11(6-4-10)16-8-14-13-17(9-16)12(18)7-19-13/h3-6H,7-9H2,1-2H3
- Stored Murcko scaffold
- N1=C2SC[CH]N2CN(c3ccccc3)C1
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- 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
- 64.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 276.359 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.057
- 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 · 14743929