COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK996850
Chemical Name: 4-{[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Smiles: COc1ccc(cc1OC)c1nnc(n1/N=C/C(=C/c1ccccc1)/Cl)S

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Molecular Weight: 400.89
Empirical Formula: C19H17ClN4O2S

Available Amount: 0 mg

Lipinsky:
logP: 6.203
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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