Compound Selection

Formula: C16H18BrNO4

MW: 368.23

CAS: 16659-88-4

MDL: MFCD00012742

TNP: TNP00487

LogP: 3.18

LogS: -3.97

Acceptors: 4

Donors: 5

Rotation Bonds: 6

Chiral Centers: 1

N+O: 5

LIPINSKY: 4

Info: Alkaloid derivative of dopamine and biosynthetic precursor of morphine

IUPAC: 1-[(3,4-dihydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol, bromi de

Smiles: Br.c1(ccc(c(c1)O)O)CC1c2c(CCN1)cc(c(c2)O)O

Chemical Compounds - Natural Compounds

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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
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management