COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK400405
Chemical Name: (2E)-4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}but-2-enoicacid
Smiles: CCCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCC2

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Molecular Weight: 337.4
Empirical Formula: C16H19NO5S

Physical State: Dry powder
Available Amount: 1444 mg

Lipinsky:
logP: 5.471
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 120
Number of rings: 2

     

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