COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870564
Chemical Name: 3-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2cccc(c2)Cl)nc(c2c1CCCC2)CC

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Molecular Weight: 370.9
Empirical Formula: C20H19ClN2OS

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.29
Rotatable bonds: 5
H-donors: 0
H-acceptors: 1
PSA: 79
Number of rings: 3

     

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