COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551770
Chemical Name: (2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-5'-[4-(octyloxy)phenyl]-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Smiles: CCCCCCCCOc1ccc(cc1)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: 664.15
Empirical Formula: C35H38ClN3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.163
Rotatable bonds: 10
H-donors: 3
H-acceptors: 8
PSA: 144
Number of rings: 6

     

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