Nelteneksin

Nelteneksin
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	99453-84-6^Y
ATC kod	R05CB14 (WHO)
PubChem	CID 3047787
ChemSpider	16736685^Y
UNII	U942DGM90X^Y
KEGG	D07382^Y
Hemijski podaci
Formula	C₁₈H₂₀Br₂N₂O₂S
Molarna masa	488,237
SMILES O[C@@H]1CC[C@H](CC1)NCc2cc(Br)cc(Br)c2NC(=O)c3cccs3
InChI InChI=1S/C18H20Br2N2O2S/c19-12-8-11(10-21-13-3-5-14(23)6-4-13)17(15(20)9-12)22-18(24)16-2-1-7-25-16/h1-2,7-9,13-14,21,23H,3-6,10H2,(H,22,24)/t13-,14-^Y Key:SSLHKNBKUBAHJY-HDJSIYSDSA-N^Y

Nelteneksin je organsko jedinjenje, koje sadrži 18 atoma ugljenika i ima molekulsku masu od 488,237 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	3
Broj rotacionih veza	5
Particioni koeficijent^[1] (ALogP)	4,2
Rastvorljivost^[2] (logS, log(mol/L))	-7,4
Polarna površina^[3] (PSA, Å²)	89,6

^ 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.