COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK043949
Chemical Name: N-(3-chloro-2-methyl-4,6-dinitrophenyl)-N'-(4-nitrophenyl)butane-1,4-diamine
Smiles: Cc1c(NCCCCNc2ccc(cc2)[N+](=O)[O-])c(cc(c1Cl)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 423.81
Empirical Formula: C17H18ClN5O6

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 6.469
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 161
Number of rings: 2

     

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