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Citiolon

Izvor: Wikipedija
Citiolon
Klinički podaci
AHFS/Drugs Monografija
Identifikatori
CAS broj 1195-16-0
ATC kod A05BA04
PubChem[1][2] 14520
ChemSpider[3] 13864
UNII 70JKL15MUHDaY
KEGG[4] D07105DaY
Hemijski podaci
Formula C6H9NO2S
Mol. masa 159,206
SMILES eMolekuli&PubHem
Farmakoinformacioni podaci
Trudnoća ?
Pravni status

Citiolonjeorgansko jedinjenje,koje sadrži 6atomaugljenikai imamolekulsku masuod 159,206Da.

Osobine

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Osobina Vrednost
Broj akceptora vodonika 4
Broj donora vodonika 1
Broj rotacionih veza 1
Particioni koeficijent[5](ALogP) 0,3
Rastvorljivost[6](logS,log(mol/L)) -1,2
Polarna površina[7](PSA,Å2) 75,0

Reference

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  1. Li Q, Cheng T, Wang Y, Bryant SH (2010).„PubChem as a public resource for drug discovery.”.Drug Discov Today15(23-24): 1052-7.DOI:10.1016/j.drudis.2010.10.003.PMID20970519.edit
  2. Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”.Annual Reports in Computational Chemistry4:217-241.DOI:10.1016/S1574-1400(08)00012-1.
  3. Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010).„Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining”.J Cheminform2(1): 3.DOI:10.1186/1758-2946-2-3.PMID20331846.edit
  4. Joanne Wixon, Douglas Kell (2000).„Website Review: The Kyoto Encyclopedia of Genes and Genomes — KEGG”.Yeast17(1): 48–55.DOI:10.1002/(SICI)1097-0061(200004)17:1<48::AID-YEA2>3.0.CO;2-H.
  5. Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998).„Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods”.J. Phys. Chem. A102:3762-3772.DOI:10.1021/jp980230o.
  6. Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001).„Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”.Chem Inf. Comput. Sci.41:1488-1493.DOI:10.1021/ci000392t.PMID11749573.
  7. Ertl P., Rohde B., Selzer P. (2000).„Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties”.J. Med. Chem.43:3714-3717.DOI:10.1021/jm000942e.PMID11020286.

Literatura

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Spoljašnje veze

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