COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK692768
Chemical Name: ethyl5-({6-[(1E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]-4,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Smiles: CCOC(=O)C1=NOC(C1)Cc1c(/C=C(/C(=O)N)\C#N)c(OC)c2c(c1OC)OCO2

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Molecular Weight: 431.4
Empirical Formula: C20H21N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.311
Rotatable bonds: 9
H-donors: 2
H-acceptors: 8
PSA: 151
Number of rings: 3

     

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