AM-6545 : Osobine, Reference, Literatura, Spoljašnje veze Википедија

AM-6545

AM-6545
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	1245626-05-4^Y
ATC kod	None
PubChem	CID 46912919
ChemSpider	26333263^Y
Hemijski podaci
Formula	C₂₆H₂₃Cl₂N₅O₃S
Molarna masa	556,464
SMILES Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCCC#N)\C(=N\N4CCS(=O)(=O)CC4)\O
InChI InChI=1S/C26H23Cl2N5O3S/c1-18-24(26(34)31-32-13-15-37(35,36)16-14-32)30-33(23-11-10-21(27)17-22(23)28)25(18)20-8-6-19(7-9-20)5-3-2-4-12-29/h6-11,17H,2,4,13-16H2,1H3,(H,31,34)^Y Key:XBHQLFVDGLPBCK-UHFFFAOYSA-N^Y

AM-6545 je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 556,464 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	7
Broj donora vodonika	1
Broj rotacionih veza	7
Particioni koeficijent^[1] (ALogP)	6,1
Rastvorljivost^[2] (logS, log(mol/L))	-9,0
Polarna površina^[3] (PSA, Å²)	120,0

^ 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.