COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK018479
Chemical Name: N-{4-nitro-3-[4-(4-nitrophenyl)piperazin-1-yl]phenyl}ethane-1,2-diamine
Smiles: NCCNc1ccc(c(c1)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 386.41
Empirical Formula: C18H22N6O4

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 4.541
Rotatable bonds: 2
H-donors: 3
H-acceptors: 4
PSA: 136
Number of rings: 3

     

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