FGIN-127

FGIN-127
Klinički podaci

Drugs.com	Monografija
Identifikatori
CAS broj	142720-24-9^Y
ATC kod	None
PubChem	CID 132496
Hemijski podaci
Formula	C₂₈H₃₇FN₂O
Molarna masa	436,605
SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)c3ccc(F)cc3
InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3^Y Key:VUWXAQFLTSBUDB-UHFFFAOYSA-N^Y

FGIN-127 je organsko jedinjenje, koje sadrži 28 atoma ugljenika i ima molekulsku masu od 436,605 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	1
Broj donora vodonika	1
Broj rotacionih veza	13
Particioni koeficijent^[1] (ALogP)	8,1
Rastvorljivost^[2] (logS, log(mol/L))	-9,2
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.