Molecule card · MolClass #38609
14730279
14730279: 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
- 14730279Mitochondrial Fusion · compound_name
- MolClass ID
- 38609
- InChIKey
- LOPCOIGBYCYKAJ-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)Nc1ccccc1C2=NN3C(C)=CSC3(=NC2(=O))
- Standard InChI
- InChI=1S/C14H12N4O2S/c1-8-7-21-14-16-13(20)12(17-18(8)14)10-5-3-4-6-11(10)15-9(2)19/h3-7H,1-2H3,(H,15,19)
- Stored Murcko scaffold
- N=1[CH]C(=NN2C=CSC12)c3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.184
- 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 · 14730279