COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK811758
Chemical Name: (2E)-2-cyano-3-(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)-N-(prop-2-en-1-yl)prop-2-enamide
Smiles: C=CCNC(=O)/C(=C/c1cn(nc1c1ccc(cc1)OCc1ccc(cc1Cl)Cl)c1ccccc1)/C#N

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Molecular Weight: 529.42
Empirical Formula: C29H22Cl2N4O2

Physical State: Dry powder
Available Amount: 103 mg

Lipinsky:
logP: 6.726
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 79
Number of rings: 4

     

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