COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333848
Chemical Name: 4-[(4S,7S)-3,5-dioxo-2-phenyl-7-(thiophen-2-yl)-2,3,4,5,6,7,8,9-octahydro-1H-pyrazolo[3,4-b]quinolin-4-yl]benzoicacid
Smiles: O=C1C[C@H](CC2=C1[C@H](c1ccc(cc1)C(=O)O)c1c(N2)[nH]n(c1=O)c1ccccc1)c1cccs1

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Molecular Weight: 483.55
Empirical Formula: C27H21N3O4S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 3.291
Rotatable bonds: 1
H-donors: 3
H-acceptors: 4
PSA: 126
Number of rings: 6

     

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