COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551769
Chemical Name: (2S,8'R)-1'-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-8',9'-dihydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,6'(1'H)-trione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)Cc2c(C1=O)cc1c(n2)n(Cc2ccc3c(c2)OCO3)c(=O)nc1O)Cl

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Molecular Weight: 591.96
Empirical Formula: C29H22ClN3O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.737
Rotatable bonds: 5
H-donors: 1
H-acceptors: 9
PSA: 146
Number of rings: 7

     

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