COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK800692
Chemical Name: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-[3-methyl-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carbonitrile
Smiles: N#Cc1c(SCC(=O)c2ccc(cc2)Cl)nc(cc1C(F)(F)F)c1ccc(c(c1)C)OCCC(C)C

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Molecular Weight: 533.01
Empirical Formula: C27H24ClF3N2O2S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 9.227
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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