COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK217469
Chemical Name: 9-(3-methylthiophen-2-yl)-2-[(4-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Smiles: O=C1CCCC2=C1C(c1sccc1C)n1c(N2)nc(n1)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 453.55
Empirical Formula: C21H19N5O3S2

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 4.79
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 159
Number of rings: 5

     

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