COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL550408
Chemical Name: (2S,7'R)-7-chloro-4'-(4-hydroxy-3,5-dimethoxyphenyl)-4,6-dimethoxy-7'-methyl-1'-(propan-2-yl)-1',2',4',7',8',9'-hexahydro-3H-spiro[1-benzofuran-2,6'-pyrazolo[3,4-b]quinoline]-3,3',5'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1cc(OC)c(c(c1)OC)O)c1c(N2)n([nH]c1=O)C(C)C)Cl

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Molecular Weight: 626.06
Empirical Formula: C31H32ClN3O9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.226
Rotatable bonds: 6
H-donors: 3
H-acceptors: 9
PSA: 144
Number of rings: 6

     

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