FGIN-143

FGIN-143
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	145040-29-5^Y
ATC kod	None
PubChem	CID 3995234
Hemijski podaci
Formula	C₂₈H₃₆Cl₂N₂O
Molarna masa	487,504
SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccc(Cl)cc12)c3ccc(Cl)cc3
InChI InChI=1S/C28H36Cl2N2O/c1-3-5-7-9-17-32(18-10-8-6-4-2)27(33)20-25-24-19-23(30)15-16-26(24)31-28(25)21-11-13-22(29)14-12-21/h11-16,19,31H,3-10,17-18,20H2,1-2H3^Y Key:XTZUPNNVXIMWAR-UHFFFAOYSA-N^Y

FGIN-143 je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 487,504 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	13
Particioni koeficijent^[1] (ALogP)	9,2
Rastvorljivost^[2] (logS, log(mol/L))	-10,7
Polarna površina^[3] (PSA, Å²)	36,1

^ 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.
^ 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.