COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183165
Chemical Name: 3-({2-bromo-4-[(1Z)-2-cyano-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-1-yl]-6-ethoxyphenoxy}methyl)benzoicacid
Smiles: CCOc1cc(/C=C(\C(=O)NCCc2c[nH]c3c2cccc3)/C#N)cc(c1OCc1cccc(c1)C(=O)O)Br

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Molecular Weight: 588.46
Empirical Formula: C30H26BrN3O5

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 5.533
Rotatable bonds: 12
H-donors: 3
H-acceptors: 5
PSA: 124
Number of rings: 4

     

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