COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK411782
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-cyclopropylprop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)NC1CC1

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Molecular Weight: 335.16
Empirical Formula: C14H11BrN2O3

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.494
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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