COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552351
Chemical Name: (2S,8'R)-5'-(1,3-benzodioxol-5-yl)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-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: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc3c(c1)OCO3)c1c(N2)n(C)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: 3.145
Rotatable bonds: 4
H-donors: 2
H-acceptors: 9
PSA: 145
Number of rings: 7

     

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