COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK008117
Chemical Name: 4-({2-[(1E)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-4-bromophenoxy}methyl)benzoicacid
Smiles: N#C/C(=C\c1cc(Br)ccc1OCc1ccc(cc1)C(=O)O)/C(=O)NCc1ccccc1

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Molecular Weight: 491.34
Empirical Formula: C25H19BrN2O4

Physical State: Dry powder
Available Amount: 123 mg

Lipinsky:
logP: 5.527
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 99
Number of rings: 3

     

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