COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK606507
Chemical Name: 3-amino-2-(4-chlorophenyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(N)n(c2ccc(cc2)Cl)c(=S)c2c1CCCC2

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Molecular Weight: 315.83
Empirical Formula: C16H14ClN3S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.065
Rotatable bonds: 0
H-donors: 2
H-acceptors: 0
PSA: 85
Number of rings: 3

     

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