COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL025553
Chemical Name: (2E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cc2OCOc2cc1Br)/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 438.28
Empirical Formula: C21H16BrN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.117
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 87
Number of rings: 4

     

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