COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050907
Chemical Name: 3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)Cl)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 481.01
Empirical Formula: C26H25ClN2O3S

Physical State: Dry powder
Available Amount: 699 mg

Lipinsky:
logP: 5.887
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 89
Number of rings: 4

     

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