COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK555161
Chemical Name: 1-(morpholin-4-yl)-3-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.352
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 120
Number of rings: 4

     

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