COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK335559
Chemical Name: 3-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]piperazin-1-yl}sulfonyl)benzoicacid
Smiles: Cc1nn(c(c1)C)c1cc(ccc1[N+](=O)[O-])N1CCN(CC1)S(=O)(=O)c1cccc(c1)C(=O)O

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Molecular Weight: 485.52
Empirical Formula: C22H23N5O6S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 4.603
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 149
Number of rings: 4

     

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