COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL360900
Chemical Name: 3-(ethylsulfanyl)-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: CCSc1nc(c2cc(OC)c(c(c2)OC)OC)c2c(c1C#N)CCCC2

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Molecular Weight: 384.5
Empirical Formula: C21H24N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.731
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 89
Number of rings: 3

     

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