COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522821
Chemical Name: methyl2-{[(2E)-2-cyano-3-{3,5-dichloro-4-[(2-chlorobenzyl)oxy]phenyl}prop-2-enoyl]amino}benzoate
Smiles: N#C/C(=C\c1cc(Cl)c(c(c1)Cl)OCc1ccccc1Cl)/C(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 515.78
Empirical Formula: C25H17Cl3N2O4

Physical State: Dry powder
Available Amount: 120 mg

Lipinsky:
logP: 7.801
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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