BMS-906024

BMS-906024
Klinički podaci

Drugs.com	Monografija
Identifikatori
ATC kod	None
PubChem	CID 66550890
ChemSpider	28536138^Y
Hemijski podaci
Formula	C₂₆H₂₆F₆N₄O₃
Molarna masa	556,500
SMILES CN1C(=O)[C@@H](\N=C(/O)\[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(=N)O)N=C(c2ccccc2)c3ccccc13
InChI InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1^Y Key:AYOUDDAETNMCBW-GSHUGGBRSA-N^Y

BMS-906024 je organsko jedinjenje, koje sadrži 26 atoma ugljenika i ima molekulsku masu od 556,500 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	6
Broj donora vodonika	3
Broj rotacionih veza	11
Particioni koeficijent^[1] (ALogP)	6,0
Rastvorljivost^[2] (logS, log(mol/L))	-7,9
Polarna površina^[3] (PSA, Å²)	109,3

^ 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.