COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172005
Chemical Name: (4-chlorophenyl)(4-{3-[(2,2-dimethylpropyl)amino]-4-nitrophenyl}piperazin-1-yl)methanone
Smiles: Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCC(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 430.93
Empirical Formula: C22H27ClN4O3

Physical State: Dry powder
Available Amount: 170 mg

Lipinsky:
logP: 5.449
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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