COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK089200
Chemical Name: 3-[(2-oxo-2-phenylethyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccccc2)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 474.58
Empirical Formula: C27H26N2O4S

Physical State: Dry powder
Available Amount: 436 mg

Lipinsky:
logP: 5.278
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 106
Number of rings: 4

     

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