COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK729038
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2-methyl-5-nitrophenyl)sulfonyl]piperazine
Smiles: Cc1ccc(cc1S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)[N+](=O)[O-]

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Molecular Weight: 419.46
Empirical Formula: C19H21N3O6S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.613
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 113
Number of rings: 4

     

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