COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019705
Chemical Name: (2E)-4-{[6-benzyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(C2)Cc1ccccc1

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Molecular Weight: 414.48
Empirical Formula: C21H22N2O5S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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