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IC-26

Izvor: Wikipedija
IC-26
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
ATC kodnije dodeljen
PubChem[1][2]113832
Hemijski podaci
FormulaC20H27NO2S 
Mol. masa345,499
SMILESeMolekuli &PubHem
InChI
InChI=1S/C20H27NO2S/c1-5-24(22,23)20(16-17(2)21(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
Key: NLPGJSPLDNDKKZ-UHFFFAOYSA-N DaY
Farmakoinformacioni podaci
Trudnoća?
Pravni status

IC-26 jeorgansko jedinjenje, koje sadrži 20atomaugljenika i imamolekulsku masu od 345,499Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika3
Broj donora vodonika0
Broj rotacionih veza7
Particioni koeficijent[3] (ALogP)3,8
Rastvorljivost[4] (logS, log(mol/L))-5,3
Polarna površina[5] (PSA,Å2)45,8

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 Today 15 (23-24): 1052-7. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  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 Chemistry 4: 217-241. DOI:10.1016/S1574-1400(08)00012-1. 
  3. 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. A 102: 3762-3772. DOI:10.1021/jp980230o. 
  4. 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. PMID 11749573. 
  5. 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. PMID 11020286. 

Literatura

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Vanjske veze

[uredi |uredi kod]
Portal Medicina
Portal Hemija
IC-26 naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=IC-26&oldid=42272175
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