COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586706
Chemical Name: 4-{[(E)-(2-nitrophenyl)methylidene]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/c1ccccc1[N+](=O)[O-]

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Molecular Weight: 415.43
Empirical Formula: C18H17N5O5S

Physical State: Dry powder
Available Amount: 205 mg

Lipinsky:
logP: 2.205
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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