COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK830088
Chemical Name: 4-(4-cyano-1-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide
Smiles: C=CCNC(=S)N1CCN(CC1)c1nc(c2ccccc2)c2c(c1C#N)CCCC2

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Molecular Weight: 417.58
Empirical Formula: C24H27N5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.018
Rotatable bonds: 2
H-donors: 1
H-acceptors: 0
PSA: 87
Number of rings: 4

     

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