COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK918897
Chemical Name: butyl4-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1ccc(c(c1)Br)OC)/C#N

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Molecular Weight: 457.32
Empirical Formula: C22H21BrN2O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 5.967
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 2

     

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