COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551834
Chemical Name: (2S,8'R)-7-chloro-5'-{3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methoxyphenyl}-4'-hydroxy-4,6-dimethoxy-8'-methyl-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2
Smiles: COc1ccc(cc1OCCc1ccc2c(c1)CCO2)C1C2=C(C[C@H]([C@@]3(C2=O)Oc2c(C3=O)c(OC)cc(c2Cl)OC)C)Nc2c1c(O)nc(=O)[nH]2

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Molecular Weight: 728.15
Empirical Formula: C38H34ClN3O10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 9
H-donors: 3
H-acceptors: 10
PSA: 163
Number of rings: 8

     

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