COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335298
Chemical Name: 2-{4-[3-(benzyloxy)-4-methoxyphenyl]-3-methyl-5-oxo-7-(thiophen-2-yl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl}benzoicacid
Smiles: COc1ccc(cc1OCc1ccccc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2c1c(C)nn2c1ccccc1C(=O)O

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Molecular Weight: 617.73
Empirical Formula: C36H31N3O5S

Physical State: Dry powder
Available Amount: 99 mg

Lipinsky:
logP: 6.864
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 130
Number of rings: 7

     

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