COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK453992
Chemical Name: (2Z)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
Smiles: N#C/C(=C/c1cc2OCOc2cc1Br)/C(=O)NC(c1cc(C)ccc1C)C

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Molecular Weight: 427.3
Empirical Formula: C21H19BrN2O3

Physical State: Dry powder
Available Amount: 625 mg

Lipinsky:
logP: 5.391
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 71
Number of rings: 3

     

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