LY-310,762

LY-310,762

Klinički podaci
Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 4282258
Hemijski podaci
Formula	C24H27FN2O2
Molarna masa	394,482
SMILES CC1(C)C(=O)N(CCN2CCC(CC2)C(=O)c3ccc(F)cc3)c4ccccc14
InChI InChI=1S/C24H27FN2O2/c1-24(2)20-5-3-4-6-21(20)27(23(24)29)16-15-26-13-11-18(12-14-26)22(28)17-7-9-19(25)10-8-17/h3-10,18H,11-16H2,1-2H3^Y Key:KDXISMANFPJVJY-UHFFFAOYSA-N^Y

LY-310,762 je organsko jedinjenje, koje sadrži 24 atoma ugljenika i ima molekulsku masu od 394,482 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	3
Broj donora vodonika	0
Broj rotacionih veza	5
Particioni koeficijent[1] (ALogP)	4,1
Rastvorljivost[2] (logS, log(mol/L))	-5,2
Polarna površina[3] (PSA, Å^2)	40,6

Reference

1. 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. 
2. 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. 
3. 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. 

Literatura

• 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. 

Spoljašnje veze

• LY-310,762