COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019676
Chemical Name: 3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)c1cccs1

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Molecular Weight: 440.97
Empirical Formula: C22H17ClN2O2S2

Physical State: Dry powder
Available Amount: 357 mg

Lipinsky:
logP: 6.647
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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