COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400437
Chemical Name: (2E)-4-{[3-(methoxycarbonyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoicacid
Smiles: COC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC(C2)C(CC)(C)C

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Molecular Weight: 379.48
Empirical Formula: C19H25NO5S

Physical State: Dry powder
Available Amount: 2670 mg

Lipinsky:
logP: 6.66
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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