COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK673488
Chemical Name: 5-amino-3-[(Z)-2-{2-bromo-4-[(2,4-dichlorobenzyl)oxy]-5-methoxyphenyl}-1-cyanoethenyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Smiles: N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccc(cc1Cl)Cl)/c1nn(c(c1C#N)N)c1ccccc1

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Molecular Weight: 595.28
Empirical Formula: C27H18BrCl2N5O2

Physical State: Dry powder
Available Amount: 161 mg

Lipinsky:
logP: 8.559
Rotatable bonds: 6
H-donors: 2
H-acceptors: 2
PSA: 109
Number of rings: 4

     

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