AM-2233 : Osobine, Reference, Literatura, Spoljašnje veze Википедија

AM-2233

AM-2233
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	444912-75-8^Y
ATC kod	None
PubChem	CID 10226340
ChemSpider	8401830^Y
ChEMBL	CHEMBL364266^Y
Hemijski podaci
Formula	C₂₂H₂₃IN₂O
Molarna masa	458,335
SMILES CN1CCCCC1Cn2cc(C(=O)c3ccccc3I)c4ccccc24
InChI InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(24)14-25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3^Y Key:KSLCYQTUSSEGPT-UHFFFAOYSA-N^Y

AM-2233 je organsko jedinjenje, koje sadrži 22 atoma ugljenika i ima molekulsku masu od 458,335 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	2
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	5,4
Rastvorljivost^[2] (logS, log(mol/L))	-7,4
Polarna površina^[3] (PSA, Å²)	25,2

^ 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.