COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551636
Chemical Name: (2S,8'R)-7-chloro-1'-[2-(3,4-dihydroxyphenyl)ethyl]-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(CCc2ccc(c(c2)O)O)c(=O)nc1O)Cl

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Molecular Weight: 593.98
Empirical Formula: C29H24ClN3O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.953
Rotatable bonds: 8
H-donors: 3
H-acceptors: 9
PSA: 168
Number of rings: 6

     

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