Molecule card · MolClass #45518
22410415
22410415: 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
- 22410415Mitochondrial Fusion · compound_name
- MolClass ID
- 45518
- InChIKey
- HUNIOCFOSMILFU-GHXNOFRVSA-N
- Canonical SMILES
- Oc1nc(nc2cc(ccc12)Cl)C(=Cc3c(F)cccc3Cl)Cl
- Standard InChI
- InChI=1S/C16H8Cl3FN2O/c17-8-4-5-9-14(6-8)21-15(22-16(9)23)12(19)7-10-11(18)2-1-3-13(10)20/h1-7H,(H,21,22,23)/b12-7-
- Stored Murcko scaffold
- n1cc2ccccc2nc1C=Cc3ccccc3
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.01 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.605 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.689
- 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 · 22410415