COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182651
Chemical Name: 3-({2-chloro-4-[(1Z)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]-6-methoxyphenoxy}methyl)benzoicacid
Smiles: N#C/C(=C/c1cc(Cl)c(c(c1)OC)OCc1cccc(c1)C(=O)O)/C(=O)NC1CCCCC1

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Molecular Weight: 468.94
Empirical Formula: C25H25ClN2O5

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 5.107
Rotatable bonds: 9
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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