COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK154771
Chemical Name: (2E)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}-3-phenylprop-2-en-1-one
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[N+](=O)[O-])/C=C/c1ccccc1

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Molecular Weight: 468.56
Empirical Formula: C28H28N4O3

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 6.201
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 72
Number of rings: 5

     

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