COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK083453
Chemical Name: (4-ethoxy-3-nitrophenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
Smiles: CCOc1ccc(cc1[N+](=O)[O-])C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 519.56
Empirical Formula: C27H29N5O6

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 5.64
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 136
Number of rings: 4

     

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