COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059941
Chemical Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2,4,6-trimethylphenyl)sulfonyl]piperazine
Smiles: Cc1cc(C)c(c(c1)C)S(=O)(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 402.51
Empirical Formula: C21H26N2O4S

Physical State: Dry powder
Available Amount: 421 mg

Lipinsky:
logP: 4.309
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 67
Number of rings: 4

     

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