COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172051
Chemical Name: (3,4-dimethoxyphenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
Smiles: COc1cc(ccc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 490.56
Empirical Formula: C27H30N4O5

Physical State: Dry powder
Available Amount: 189 mg

Lipinsky:
logP: 5.803
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 99
Number of rings: 4

     

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