COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK170840
Chemical Name: 2-[(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile
Smiles: N#Cc1ccccc1COc1ccc(cc1)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2

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Molecular Weight: 467.44
Empirical Formula: C26H17N3O6

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 3.552
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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