COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK334835
Chemical Name: (4S,7S)-4-[3-(benzyloxy)phenyl]-2-phenyl-7-(thiophen-2-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
Smiles: O=C1C[C@H](CC2=C1[C@H](c1cccc(c1)OCc1ccccc1)c1c(N2)[nH]n(c1=O)c1ccccc1)c1cccs1

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Molecular Weight: 545.66
Empirical Formula: C33H27N3O3S

Physical State: Dry powder
Available Amount: 368 mg

Lipinsky:
logP: 5.185
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 7

     

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