COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL133290
Chemical Name: methyl(2E)-3-[(4-bromophenyl)amino]-2-[(4-tert-butylphenyl)sulfonyl]prop-2-enoate
Smiles: COC(=O)/C(=C\Nc1ccc(cc1)Br)/S(=O)(=O)c1ccc(cc1)C(C)(C)C

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Molecular Weight: 452.37
Empirical Formula: C20H22BrNO4S

Physical State: Dry powder
Available Amount: 250 mg

Lipinsky:
logP: 4.594
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 2

     

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