COVPDB

Ligand

Ligand Name: CNX 774
Ligand Type: non-polymer
Ligand ID: COVPDB358	PubChem: 59174579
Synonym(s): cnx-774 1202759-32-7 4-(4-((4-((3-acrylamidophenyl)amino)-5-fluoropyrimidin-2-yl)amino)phenoxy)-n-methylpicolinamide cnx774 chembl2216827 4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-n-methylpyridine-2-carboxamide gtpl9266 schembl12519438 c26h22fn7o3 amy9042 hms3653k04 aob87124 bcp09105 ex-a1309 2333ah bdbm50403056 s7257 zinc72317469 akos025148612 acn-025764 ccg-269681 cs-1806 sb17240 ncgc00386312-05 4-[4-[[5-fluoro-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-n-methylpyridine-2-car ak474037 bs-14477 da-34964 hy-13943 ft-0709043 sw219630-1 a13233 q27076135 4-[4-[[5-fluoro-4-[[3-[(1-oxo-2-propen-1-yl)amino]phenyl]amino]-2-pyrimidinyl]amino]phenoxy]-n-methyl-2-pyridinecarboxamide show 33 synonym(s)
DrugBank: -	ChEMBL: CHEMBL2216827
Canonical SMILES: CNC(=O)c1cc(ccn1)Oc2ccc(cc2)Nc3ncc(F)c(n3)Nc4cccc(c4)NC(=O)C=C
Standard InChI: InChI=1S/C26H22FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h3-15H,1H2,2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
Molecular Formula: C26H22FN7O3	Mol. Weight: 499.17682	logP: 4.7743
HBD: 4	HBA: 8
#Rotatable Bonds: 9	TPSA: 130.16