COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052001
Chemical Name: 1-{4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}-2-(4-tert-butylphenoxy)ethanone
Smiles: O=C(N1CCN(CC1)c1ccc(c(c1)NCc1ccccc1)[N+](=O)[O-])COc1ccc(cc1)C(C)(C)C

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Molecular Weight: 502.61
Empirical Formula: C29H34N4O4

Physical State: Dry powder
Available Amount: 336 mg

Lipinsky:
logP: 6.786
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 90
Number of rings: 4

     

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