COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK826130
Chemical Name: 3-[(Z)-1-cyano-2-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}ethenyl]-5-{[(E)-{3,5-dibromo-4-[(4-methylbenzyl)oxy]phenyl}methylidene]amino}-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)/c1nn(c(c1C#N)/N=C/c1cc(Br)c(c(c1)Br)OCc1ccc(cc1)C)c1ccccc1

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Molecular Weight: 955.34
Empirical Formula: C42H29Br4N5O2

Physical State: Dry powder
Available Amount: 108 mg

Lipinsky:
logP: 12.811
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 96
Number of rings: 6

     

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