AM-1235

AM-1235
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	335161-27-8^Y
ATC kod	None
ChemSpider	26633899^Y
Hemijski podaci
Formula	C₂₄H₂₁FN₂O₃
Molarna masa	404,434
SMILES [O-][N+](=O)c1ccc2c(cn(CCCCCF)c2c1)C(=O)c3cccc4ccccc34
InChI InChI=1S/C24H21FN2O3/c25-13-4-1-5-14-26-16-22(20-12-11-18(27(29)30)15-23(20)26)24(28)21-10-6-8-17-7-2-3-9-19(17)21/h2-3,6-12,15-16H,1,4-5,13-14H2^Y Key:LNGVQORPSNNMSZ-UHFFFAOYSA-N^Y

AM-1235 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 404,434 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	8
Particioni koeficijent^[1] (ALogP)	6,0
Rastvorljivost^[2] (logS, log(mol/L))	-8,0
Polarna površina^[3] (PSA, Å²)	67,8

^ 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.