COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK615386
Chemical Name: 1-(morpholin-4-yl)-3-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

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Molecular Weight: 438.51
Empirical Formula: C22H22N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.434
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 137
Number of rings: 4

     

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