COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590982
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-ol
Smiles: OC1=C2C(=Nc3n(C2c2sccc2C)nc(n3)SCc2ccc(cc2)[N+](=O)[O-])CCC1

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Molecular Weight: 453.55
Empirical Formula: C21H19N5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.782
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 162
Number of rings: 5

     

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