Molecule card · MolClass #44214
24820639
24820639: 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
- 24820639Mitochondrial Fusion · compound_name
- MolClass ID
- 44214
- InChIKey
- PQTZIWNDBBWLNV-UHFFFAOYSA-N
- Canonical SMILES
- Cn2nnnc2(c1cc(cc(c1)Cl)Cl)
- Standard InChI
- InChI=1S/C8H6Cl2N4/c1-14-8(11-12-13-14)5-2-6(9)4-7(10)3-5/h2-4H,1H3
- Stored Murcko scaffold
- n1n[nH]c(n1)-c2ccccc2
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 43.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 229.066 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.407
- 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 · 24820639