WIN 55,212-2 : Osobine, Reference, Literatura, Spoljašnje veze Википедија

WIN 55,212-2

WIN 55,212-2
Klinički podaci

Drugs.com	55,212-2.html Monografija
Identifikatori
CAS broj	131543-23-2^Y
ATC kod	None
PubChem	CID 5311501
IUPHAR/BPS	733
ChemSpider	4470978^Y
ChEBI	CHEBI:73295^Y
ChEMBL	CHEMBL188^Y
Hemijski podaci
Formula	C₂₇H₂₆N₂O₃
Molarna masa	426,507
SMILES Cc1c(C(=O)c2cccc3ccccc23)c4cccc5OCC(CN6CCOCC6)n1c45
InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3^Y Key:HQVHOQAKMCMIIM-UHFFFAOYSA-N^Y

WIN 55,212-2 je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 426,507 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	4
Broj donora vodonika	0
Broj rotacionih veza	4
Particioni koeficijent^[1] (ALogP)	4,4
Rastvorljivost^[2] (logS, log(mol/L))	-6,6
Polarna površina^[3] (PSA, Å²)	43,7

^ 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.