COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552151
Chemical Name: 4-{5-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-2',3,6'-trioxo-1',5',6',8',9',10'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]furan-2-yl}benzoicacid
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1ccc(cc1)C(=O)O)c1c(N2)[nH]c(=O)nc1O)Cl

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Molecular Weight: 646.01
Empirical Formula: C32H24ClN3O10

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.252
Rotatable bonds: 5
H-donors: 4
H-acceptors: 10
PSA: 185
Number of rings: 7

     

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