COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL149469
Chemical Name: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/C(=C/c1ccccc1)/Cl

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Molecular Weight: 400.89
Empirical Formula: C19H17ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.536
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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