COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192921
Chemical Name: 2-[(2-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-4-bromophenoxy)methyl]benzonitrile
Smiles: N#Cc1ccccc1COc1ccc(cc1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2)Br

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Molecular Weight: 546.33
Empirical Formula: C26H16BrN3O6

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 4.705
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 5

     

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