COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK330232
Chemical Name: 5-amino-3-[(Z)-1-cyano-2-(3,5-diiodo-2-propoxyphenyl)ethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: CCCOc1c(cc(cc1I)I)/C=C(/c1nn(c(c1C#N)N)c1ccccc1)\C#N

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Molecular Weight: 621.22
Empirical Formula: C22H17I2N5O

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 7.735
Rotatable bonds: 5
H-donors: 2
H-acceptors: 1
PSA: 100
Number of rings: 3

     

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