Molecule card · MolClass #39279
14746672
14746672: 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
- 14746672Mitochondrial Fusion · compound_name
- MolClass ID
- 39279
- InChIKey
- ZLUHERWQZSAXIH-UHFFFAOYSA-N
- Canonical SMILES
- COCCNC(=O)CSc2nnc1c(cc(cn12)Cl)Cl
- Standard InChI
- InChI=1S/C11H12Cl2N4O2S/c1-19-3-2-14-9(18)6-20-11-16-15-10-8(13)4-7(12)5-17(10)11/h4-5H,2-3,6H2,1H3,(H,14,18)
- Stored Murcko scaffold
- n1nc2ccccn2c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.82 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 335.211 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.488
- 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 · 14746672