COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL019788
Chemical Name: (2E)-4-{[6-acetyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(C2)C(=O)C

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Molecular Weight: 352.37
Empirical Formula: C15H16N2O6S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 2.12
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 141
Number of rings: 2

     

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