COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK069653
Chemical Name: 3-[(2,6-dichlorobenzyl)sulfanyl]-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2c(Cl)cccc2Cl)nc(c2c1CCCC2)c1cccs1

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Molecular Weight: 431.41
Empirical Formula: C21H16Cl2N2S2

Physical State: Dry powder
Available Amount: 462 mg

Lipinsky:
logP: 7.26
Rotatable bonds: 3
H-donors: 0
H-acceptors: 0
PSA: 90
Number of rings: 4

     

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