COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK361662
Chemical Name: 3-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(c(c2)O)O)nc(c2c1CCCC2)CC

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Molecular Weight: 368.46
Empirical Formula: C20H20N2O3S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 5.063
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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