COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK355537
Chemical Name: {4-[4-nitro-3-(piperidin-1-yl)phenyl]piperazin-1-yl}[3-nitro-4-(pyrrolidin-1-yl)phenyl]methanone
Smiles: O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)N1CCN(CC1)c1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]

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Molecular Weight: 508.58
Empirical Formula: C26H32N6O5

Physical State: Dry powder
Available Amount: 475 mg

Lipinsky:
logP: 5.457
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 5

     

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