COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL133293
Chemical Name: methyl(2E)-2-[(4-tert-butylphenyl)sulfonyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)prop-2-enoate
Smiles: COC(=O)/C(=C\Nc1ccc2c(c1)OCCO2)/S(=O)(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 431.51
Empirical Formula: C22H25NO6S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 3.471
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 99
Number of rings: 3

     

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