COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK437932
Chemical Name: methyl2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 413.49
Empirical Formula: C22H23NO5S

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 7.974
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 4

     

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