COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL370008
Chemical Name: 4-({2-bromo-4-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]-6-methoxyphenoxy}methyl)benzonitrile
Smiles: N#Cc1ccc(cc1)COc1c(Br)cc(cc1OC)C=C1C(=O)N(C)C(=O)N(C1=O)C

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Molecular Weight: 484.31
Empirical Formula: C22H18BrN3O5

Physical State: Dry powder
Available Amount: 2232 mg

Lipinsky:
logP: 2.335
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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