Compound Selection

Formula: C50H54N4O10

MW: 871

MDL: MFCD12965936

TNP:

LogP: 2.09

LogS: -3.6

Acceptors: 10

Donors: 8

Rotation Bonds: 17

Chiral Centers: 0

N+O: 14

LIPINSKY: 2

IUPAC: N-{(1E)-2-[7-(8-{(1E)-2-[2-(3,5-dimethylphenoxy)acetylamino]-2-azavinyl}-1,6,7 -trihydroxy-3-methyl-5-(methylethyl)(2-naphthyl))-2,3,8-trihydroxy-6-methyl-4- (methylethyl)naphthyl]-1-azavinyl}-2-(3,5-dimethylphenoxy)acetamide

Smiles: c1(c2c(c3c(/C=N\NC(=O)COc4cc(cc(c4)C)C)c(O)c(c(c3cc2C)C(C)C)O)O)c(c2c(/C=N\NC(=O)COc3cc(cc(c3)C)C)c(O)c(c(c2cc1C)C(C)C)O)O

 

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MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
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