COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183015
Chemical Name: 3-[(2-{(1E)-3-[(5-chloro-2-methylphenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-methoxyphenoxy)methyl]benzoicacid
Smiles: N#C/C(=C\c1cccc(c1OCc1cccc(c1)C(=O)O)OC)/C(=O)Nc1cc(Cl)ccc1C

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Molecular Weight: 476.92
Empirical Formula: C26H21ClN2O5

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 5.973
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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