COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK205913
Chemical Name: (4-methylphenyl)(4-{3-[(2-methylpropyl)amino]-4-nitrophenyl}piperazin-1-yl)methanone
Smiles: CC(CNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(cc1)C)C

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Molecular Weight: 396.49
Empirical Formula: C22H28N4O3

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 4.795
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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