COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674165
Chemical Name: 2-{[(2E)-2-(acetylamino)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}butanoicacid
Smiles: CCC(C(=O)O)NC(=O)/C(=C\c1ccc2c(c1)OCO2)/NC(=O)C

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Molecular Weight: 334.33
Empirical Formula: C16H18N2O6

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 1.853
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 113
Number of rings: 2

     

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