Molecule card · MolClass #48704
14729159
14729159: 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
- 14729159Mitochondrial Fusion · compound_name
- MolClass ID
- 48704
- InChIKey
- PJDSHYQTGJJMDC-UHFFFAOYSA-N
- Canonical SMILES
- Cn4nc(c1ccccc1)c(c2nc(no2)c3ccc(cc3)Cl)c4Cl
- Standard InChI
- InChI=1S/C18H12Cl2N4O/c1-24-16(20)14(15(22-24)11-5-3-2-4-6-11)18-21-17(23-25-18)12-7-9-13(19)10-8-12/h2-10H,1H3
- Stored Murcko scaffold
- n1oc(nc1-c2ccccc2)-c3c[nH]nc3-c4ccccc4
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.
- 14729032#45298
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 2
- 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
- 56.74 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 371.221 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.709
- 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 · 14729159