COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK829084
Chemical Name: (2E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(3,4-dimethylphenyl)sulfonyl]prop-2-enenitrile
Smiles: N#C/C(=C\N1CCN(CC1)Cc1ccc2c(c1)OCO2)/S(=O)(=O)c1ccc(c(c1)C)C

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Molecular Weight: 439.54
Empirical Formula: C23H25N3O4S

Physical State: Dry powder
Available Amount: 391 mg

Lipinsky:
logP: 3.25
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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