COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551998
Chemical Name: dimethyl5-{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}benzene-1,
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1cc(cc(c1)C(=O)OC)C(=O)OC)c1c(N2)n(C)c(=O)nc1O)Cl

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Molecular Weight: 732.1
Empirical Formula: C36H30ClN3O12

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.464
Rotatable bonds: 8
H-donors: 2
H-acceptors: 12
PSA: 192
Number of rings: 7

     

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