COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK955886
Chemical Name: (2E)-4-({4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}amino)-2-methyl-4-oxobut-2-enoicacid
Smiles: CCC(c1ccc(cc1)c1c(C)sc(c1C#N)NC(=O)/C=C(/C(=O)O)\C)C

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Molecular Weight: 382.48
Empirical Formula: C21H22N2O3S

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 5.696
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 2

     

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