COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL034973
Chemical Name: 2-{[(5-hydroxy-7-methyl-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Smiles: N#Cc1c(SCc2cc(=O)oc3c2c(O)cc(c3)C)nc2c(c1C(F)(F)F)CCCC2

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Molecular Weight: 446.45
Empirical Formula: C22H17F3N2O3S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 4

     

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