COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK185333
Chemical Name: (2E)-3-[3-bromo-4-(prop-2-yn-1-yloxy)phenyl]-2-[(4-phenylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: C#CCOc1ccc(cc1Br)/C=C(/C(=O)N1CCN(CC1)c1ccccc1)\C#N

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Molecular Weight: 450.33
Empirical Formula: C23H20BrN3O2

Physical State: Dry powder
Available Amount: 327 mg

Lipinsky:
logP: 3.205
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 56
Number of rings: 3

     

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