COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013371
Chemical Name: 4-({4-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2-chlorophenoxy}methyl)benzoicacid
Smiles: N#C/C(=C\c1ccc(c(c1)Cl)OCc1ccc(cc1)C(=O)O)/C(=O)NCc1ccccc1

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Molecular Weight: 446.89
Empirical Formula: C25H19ClN2O4

Physical State: Dry powder
Available Amount: 124 mg

Lipinsky:
logP: 4.93
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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