COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297979
Chemical Name: N-[(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-(4-methoxyphenyl)prop-2-enoyl]-beta-alanine
Smiles: COc1ccc(cc1)/C=C(\C(=O)NCCC(=O)O)/NC(=O)c1ccc(o1)Br

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Molecular Weight: 437.25
Empirical Formula: C18H17BrN2O6

Physical State: Dry powder
Available Amount: 218 mg

Lipinsky:
logP: 1.399
Rotatable bonds: 6
H-donors: 3
H-acceptors: 6
PSA: 117
Number of rings: 2

     

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