Molecule card · MolClass #50131
22405757
22405757: 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
- 22405757Mitochondrial Fusion · compound_name
- MolClass ID
- 50131
- InChIKey
- FCYBOLGARAQDRF-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NC=2C(=O)c3ccccc3(C(=O)C=2(Nc1ccc(F)cc1)))c4ccc(cc4)Cl
- Standard InChI
- InChI=1S/C23H14ClFN2O3/c24-14-7-5-13(6-8-14)23(30)27-20-19(26-16-11-9-15(25)10-12-16)21(28)17-3-1-2-4-18(17)22(20)29/h1-12,26H,(H,27,30)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]Nc2cc3ccccc3cc2Nc4ccccc4
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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.821 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.914
- 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 · 22405757