Molecule card · MolClass #39468
14731473
14731473: 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
- 14731473Mitochondrial Fusion · compound_name
- MolClass ID
- 39468
- InChIKey
- YCHSQFRGXDZGCB-UHFFFAOYSA-N
- Canonical SMILES
- O=C(NNC=1CCCC=1(C(=O)C(F)(F)F))c2ccccc2Cl
- Standard InChI
- InChI=1S/C14H12ClF3N2O2/c15-10-6-2-1-4-8(10)13(22)20-19-11-7-3-5-9(11)12(21)14(16,17)18/h1-2,4,6,19H,3,5,7H2,(H,20,22)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NNC2=CCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 332.706 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.865
- 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 · 14731473