COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK720485
Chemical Name: 4-(4-chlorophenyl)-1-[(4-nitrobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: Clc1ccc(cc1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 524.02
Empirical Formula: C24H18ClN5O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.566
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 150
Number of rings: 6

     

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