COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK394225
Chemical Name: 2-({4-[(E)-(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-iodo-6-methoxyphenoxy}methyl)benzonitrile
Smiles: COc1cc(cc(c1OCc1ccccc1C#N)I)/C=C/1\C(=O)NN(C1=O)c1ccccc1

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Molecular Weight: 551.34
Empirical Formula: C25H18IN3O4

Physical State: Dry powder
Available Amount: 211 mg

Lipinsky:
logP: 5.018
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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