COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK588923
Chemical Name: 4-[(1Z)-2-cyano-3-methoxy-3-oxoprop-1-en-1-yl]-2-methoxyphenyl3,4,5-trimethoxybenzoate
Smiles: COC(=O)/C(=C\c1ccc(c(c1)OC)OC(=O)c1cc(OC)c(c(c1)OC)OC)/C#N

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Molecular Weight: 427.41
Empirical Formula: C22H21NO8

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 3.378
Rotatable bonds: 8
H-donors: 0
H-acceptors: 8
PSA: 113
Number of rings: 2

     

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