COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK334936
Chemical Name: (4S,7S)-4-methyl-2-(4-nitrophenyl)-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](C)c1c(N2)[nH]n(c1=O)c1ccc(cc1)[N+](=O)[O-])c1cccs1

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Molecular Weight: 422.46
Empirical Formula: C21H18N4O4S

Physical State: Dry powder
Available Amount: 403 mg

Lipinsky:
logP: 1.782
Rotatable bonds: 0
H-donors: 2
H-acceptors: 4
PSA: 135
Number of rings: 5

     

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