COVPDB

Ligand

Ligand Name: CHMFL-BTK-01
Ligand Type: non-polymer
Ligand ID: COVPDB1132	PubChem: 129896681
Synonym(s): chembl4077123 2095280-64-9 n-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide schembl19230221 bdbm50245586 hy-101521 cs-0021624 show 6 synonym(s)
DrugBank: -	ChEMBL: CHEMBL4077123
Canonical SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)-c3cn(C)c(=O)c(c3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5
Standard InChI: InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)
Molecular Formula: C38H41N5O5	Mol. Weight: 647.3108	logP: 6.25102
HBD: 3	HBA: 7
#Rotatable Bonds: 8	TPSA: 121.77