COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182986
Chemical Name: 3-[(2-chloro-4-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCc1cccc(c1)C(=O)O)/C(=O)Nc1cc(Cl)ccc1C

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Molecular Weight: 481.33
Empirical Formula: C25H18Cl2N2O4

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 6.586
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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