COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL273025
Chemical Name: 2-{[(4-chlorophenyl)amino]methyl}-9-(4-methylphenyl)-N-(prop-2-en-1-yl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]azepine-3-carbothioamide
Smiles: C=CCNC(=S)n1c(CNc2ccc(cc2)Cl)nc2=C(CCCCn12)c1ccc(cc1)C

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Molecular Weight: 466.05
Empirical Formula: C25H28ClN5S

Available Amount: 0 mg

Lipinsky:
logP: 6.001
Rotatable bonds: 4
H-donors: 2
H-acceptors: 0
PSA: 74
Number of rings: 4

     

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