COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK100830
Chemical Name: 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,3,4-trimethoxyphenyl)methylidene]acetohydrazide
Smiles: COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(c(c2OC)OC)OC)nnc1c1ccc(cc1)C(C)(C)C

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Molecular Weight: 589.72
Empirical Formula: C31H35N5O5S

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 8.188
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 134
Number of rings: 4

     

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