COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183024
Chemical Name: (2-bromo-4-{(1E)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)aceticacid
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)O)/C(=O)Nc1ccc(cc1)O

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Molecular Weight: 417.22
Empirical Formula: C18H13BrN2O5

Physical State: Dry powder
Available Amount: 379 mg

Lipinsky:
logP: 2.426
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 119
Number of rings: 2

     

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