COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK333904
Chemical Name: (4R,7S)-3-hydroxy-4-(6-nitro-1,3-benzodioxol-5-yl)-7-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Smiles: O=C1C[C@H](CC2=C1[C@H](c1cc3OCOc3cc1[N+](=O)[O-])c1c(N2)[nH]nc1O)c1cccs1

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Molecular Weight: 452.45
Empirical Formula: C21H16N4O6S

Physical State: Dry powder
Available Amount: 280 mg

Lipinsky:
logP: 3.435
Rotatable bonds: 1
H-donors: 3
H-acceptors: 6
PSA: 170
Number of rings: 6

     

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