COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574625
Chemical Name: 4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1OC

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Molecular Weight: 426.5
Empirical Formula: C21H22N4O4S

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 3.091
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 109
Number of rings: 3

     

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