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5-MAPDI

Izvor: Wikipedija
(Preusmjereno sa straniceIndanilmetilaminopropan)
5-MAPDI
Klinički podaci
AHFS/Drugs.comMonografija
Identifikatori
CAS broj1310153-27-5
ATC kodnije dodeljen
ChemSpider[1]26679339
Hemijski podaci
FormulaC13H19N 
Mol. masa189,297
SMILESeMolekuli &PubHem
InChI
InChI=1S/C13H19N/c1-10(14-2)8-11-6-7-12-4-3-5-13(12)9-11/h6-7,9-10,14H,3-5,8H2,1-2H3
Key: MHBKJTHGGWQKSG-UHFFFAOYSA-N DaY
SinonimiN-methyl-5-indanyl-2-aminopropane
Farmakoinformacioni podaci
Trudnoća?
Pravni status

5-MAPDI jeorgansko jedinjenje, koje sadrži 13atomaugljenika i imamolekulsku masu od 189,297Da.

Osobine

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OsobinaVrednost
Broj akceptora vodonika1
Broj donora vodonika1
Broj rotacionih veza3
Particioni koeficijent[2] (ALogP)3,1
Rastvorljivost[3] (logS, log(mol/L))-4,2
Polarna površina[4] (PSA,Å2)12,0

Reference

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  1. 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 Cheminform 2 (1): 3. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  2. 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. 
  3. 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. 
  4. 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

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Portal Medicina
Portal Hemija
5-MAPDI naWikimedijinoj ostavi
Izvor:https://sh.wikipedia.org/w/index.php?title=5-MAPDI&oldid=42271073
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