COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993719
Chemical Name: (7Z)-2-[imino(sulfanyl)methyl]-5-methyl-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-pyrazolo[4,3-c]pyridin-5-ium
Smiles: C[NH+]1C/C(=C/c2ccc(cc2)[N+](=O)[O-])/C2=NN(C(C2C1)c1ccc(cc1)[N+](=O)[O-])C(=N)S

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Saltdata: Cl-
Molecular Weight: 453.5
Empirical Formula: C21H21N6O4S

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 3.188
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 174
Number of rings: 4

     

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