COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551049
Chemical Name: (2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-(4-nitrophenyl)-3',5',8',9'-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(c1ccc(cc1)[N+](=O)[O-])c1c(=N2)n(C)c(=O)n(c1O)C)Cl

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Molecular Weight: 608.99
Empirical Formula: C29H25ClN4O9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.207
Rotatable bonds: 3
H-donors: 1
H-acceptors: 9
PSA: 163
Number of rings: 6

     

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