COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK522838
Chemical Name: methyl2-{[(2E)-3-(3-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OC)/C(=O)Nc1ccccc1C(=O)OC

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Molecular Weight: 445.27
Empirical Formula: C20H17BrN2O5

Physical State: Dry powder
Available Amount: 240 mg

Lipinsky:
logP: 5.062
Rotatable bonds: 6
H-donors: 1
H-acceptors: 5
PSA: 97
Number of rings: 2

     

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