COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK053828
Chemical Name: 3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Smiles: N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 525.02
Empirical Formula: C27H25ClN2O5S

Available Amount: 0 mg

Lipinsky:
logP: 5.881
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 5

     

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