COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK461692
Chemical Name: [6,8-dimethyl-2-(pyridin-3-yl)quinolin-4-yl]{4-[(4-nitrophenyl)sulfonyl]piperazin-1-yl}methanone
Smiles: Cc1cc(C)c2c(c1)c(cc(n2)c1cccnc1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 531.59
Empirical Formula: C27H25N5O5S

Physical State: Dry powder
Available Amount: 455 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 137
Number of rings: 5

     

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