COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK195804
Chemical Name: (2E)-3-(5-bromo-2,4-dimethoxyphenyl)-2-cyanoprop-2-enoicacid
Smiles: N#C/C(=C\c1cc(Br)c(cc1OC)OC)/C(=O)O

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Molecular Weight: 312.12
Empirical Formula: C12H10BrNO4

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 2.788
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 79
Number of rings: 1

     

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