COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045788
Chemical Name: 5-(3,4-dimethoxyphenyl)-4-{[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/C=C/c1ccccc1OC

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Molecular Weight: 396.47
Empirical Formula: C20H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.389
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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