COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552593
Chemical Name: 2-{5-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-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)c1ccccc1C(=O)O)c1c(N2)n(C)c(=O)nc1O)Cl

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Molecular Weight: 660.04
Empirical Formula: C33H26ClN3O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.254
Rotatable bonds: 7
H-donors: 3
H-acceptors: 10
PSA: 177
Number of rings: 7

     

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