COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK467390
Chemical Name: methyl(2Z)-2-cyano-3-[3-({[3-cyano-4-methyl-6-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)-4-methoxyphenyl]prop-2-enoate
Smiles: COC(=O)/C(=C\c1ccc(c(c1)CSc1nc(cc(c1C#N)C)C(F)(F)F)OC)/C#N

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Molecular Weight: 447.44
Empirical Formula: C21H16F3N3O3S

Physical State: Dry powder
Available Amount: 277 mg

Lipinsky:
logP: 4.568
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 2

     

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