COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK063085
Chemical Name: 2-{[(2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino}benzoicacid
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)Nc1ccccc1C(=O)O

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Molecular Weight: 415.2
Empirical Formula: C18H11BrN2O5

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 5.207
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 108
Number of rings: 3

     

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