PDB CCD ID: | H41 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C22 H20 Cl2 F2 N6 O3 |
InChI: | InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1 |
InChIKey: | OTTJIRVZJJGFTK-SFHVURJKSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CCN(C1CN(N=C1c2ccc(c(c2)Cl)Cl)C(=NC#N)Nc3cccc(c3)OC(F)F)C(=O)CO | OpenEye OEToolkits 1.7.6 | CCN([C@H]1CN(N=C1c2ccc(c(c2)Cl)Cl)/C(=N/C#N)/Nc3cccc(c3)OC(F)F)C(=O)CO | CACTVS 3.385 | CCN([CH]1CN(N=C1c2ccc(Cl)c(Cl)c2)C(Nc3cccc(OC(F)F)c3)=NC#N)C(=O)CO | CACTVS 3.385 | CCN([C@H]1CN(N=C1c2ccc(Cl)c(Cl)c2)C(Nc3cccc(OC(F)F)c3)=NC#N)C(=O)CO |
|
Name: | N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE |
ChEMBL: | CHEMBL3818617 |
ZINC: | ZINC000504786915 |