COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK113834
Chemical Name: 2-{[(2E)-2-cyano-3-{3,5-dichloro-4-[(3-methylbenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OCc1cccc(c1)C)/C(=O)Nc1ccccc1C(=O)O

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Molecular Weight: 481.33
Empirical Formula: C25H18Cl2N2O4

Physical State: Dry powder
Available Amount: 146 mg

Lipinsky:
logP: 7.364
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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