COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK397392
Chemical Name: (2E)-4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoicacid
Smiles: N#Cc1c(NC(=O)/C=C/C(=O)O)sc2c1CCCC2

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Molecular Weight: 276.32
Empirical Formula: C13H12N2O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.922
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 118
Number of rings: 2

     

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