COVPDB

Ligand

Ligand Name: H3B-594
Ligand Type: non-polymer
Ligand ID: COVPDB783	PubChem: 124091011
Synonym(s): h3b-5942 h3b-5942 free base 2052128-15-9 (free base) 2052128-15-9 (e)-4-((2-(4-((e)-1-(1h-indazol-5-yl)-2-phenylbut-1-en-1-yl)phenoxy)ethyl)amino)-n,n-dimethylbut-2-enamide schembl18260990 ex-a4924 s8746 bs-15909 hy-112611 cs-0047696 show 10 synonym(s)
DrugBank: -	ChEMBL: -
Canonical SMILES: c1ccccc1/C(CC)=C(/c(c2)ccc(c23)[nH]nc3)c4ccc(cc4)OCCNC/C=C/C(=O)N(C)C
Standard InChI: InChI=1S/C31H34N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-17,21-22,32H,4,18-20H2,1-3H3,(H,33,34)/b11-8+,31-28+
Molecular Formula: C31H34N4O2	Mol. Weight: 494.2682	logP: 5.5448
HBD: 2	HBA: 4
#Rotatable Bonds: 11	TPSA: 70.25