COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400408
Chemical Name: (2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC(C2)CC

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Molecular Weight: 351.42
Empirical Formula: C17H21NO5S

Physical State: Dry powder
Available Amount: 1550 mg

Lipinsky:
logP: 5.963
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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