Molecule card · MolClass #41792
14740034
14740034: 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
- 14740034Mitochondrial Fusion · compound_name
- MolClass ID
- 41792
- InChIKey
- OYXJLGCAUQIFBZ-UHFFFAOYSA-N
- Canonical SMILES
- Nc1c(cnn1c3ccc(Cc2ccc(cc2Cl)Cl)nn3)c4ccc(F)cc4
- Standard InChI
- InChI=1S/C20H14Cl2FN5/c21-14-4-1-13(18(22)10-14)9-16-7-8-19(27-26-16)28-20(24)17(11-25-28)12-2-5-15(23)6-3-12/h1-8,10-11H,9,24H2
- Stored Murcko scaffold
- n1nc(ccc1-n2ncc(c2)-c3ccccc3)Cc4ccccc4
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.
- 14740035#40927
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 414.264 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.591
- 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 · 14740034