COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574742
Chemical Name: 4-{[(1E,2Z)-2-chloro-3-phenylprop-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/c1ccccc1)/Cl

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Molecular Weight: 430.91
Empirical Formula: C20H19ClN4O3S

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.238
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 99
Number of rings: 3

     

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