COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150251
Chemical Name: 1-(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)propan-1-one
Smiles: CCC(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[N+](=O)[O-]

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Molecular Weight: 382.46
Empirical Formula: C21H26N4O3

Physical State: Dry powder
Available Amount: 112 mg

Lipinsky:
logP: 4.843
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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