AL-34662 : Osobine, Reference, Literatura, Spoljašnje veze Википедија

AL-34662

AL-34662
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	210580-75-9^Y
ATC kod	None
ChemSpider	21467821^Y
ChEMBL	CHEMBL371300^Y
Hemijski podaci
Formula	C₁₀H₁₃N₃O
Molarna masa	191,230
SMILES C[C@H](N)Cn1ncc2ccc(O)cc12
InChI InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1^Y Key:WBYHTZYHAFNBKW-ZETCQYMHSA-N^Y

Fizički podaci
Tačka topljenja	170 °C (338 °F)

AL-34662 je organsko jedinjenje, koje sadrži 10 atoma ugljenika i ima molekulsku masu od 191,230 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	2
Broj rotacionih veza	2
Particioni koeficijent^[1] (ALogP)	1,0
Rastvorljivost^[2] (logS, log(mol/L))	-2,1
Polarna površina^[3] (PSA, Å²)	64,1

^ Ghose, A.K.; Viswanadhan V.N. & 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.
^ 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. PMID 11749573. doi:10.1021/ci000392t.
^ 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. PMID 11020286. doi:10.1021/jm000942e.

Hardman JG, Limbird LE, Gilman AG (2001). Goodman & Gilman's The Pharmacological Basis of Therapeutics (10. изд.). New York: McGraw-Hill. ISBN 0071354697. doi:10.1036/0071422803.
Thomas L. Lemke; David A. Williams, ур. (2007). Foye's Principles of Medicinal Chemistry (6. изд.). Baltimore: Lippincott Willams & Wilkins. ISBN 0781768799.