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Tipifarnib

Tipifarnib
Klinički podaci
Drugs.comMonografija
Identifikatori
ATC kodnone
PubChemCID 148193
UNIIMAT637500A ДаY
ChEMBLCHEMBL289228 ДаY
Hemijski podaci
FormulaC27H22Cl2N4O
Molarna masa489,396
  • CN1C(=O)C=C(c2cccc(Cl)c2)c3cc(ccc13)C(N)(c4ccc(Cl)cc4)c5cncn5C
  • InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3 ДаY
  • Key:PLHJCIYEEKOWNM-UHFFFAOYSA-N ДаY

Tipifarnib je organsko jedinjenje, koje sadrži 27 atoma ugljenika i ima molekulsku masu od 489,396 Da.

Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 1
Broj rotacionih veza 4
Particioni koeficijent[1] (ALogP) 4,8
Rastvorljivost[2] (logS, log(mol/L)) -9,1
Polarna površina[3] (PSA, Å2) 64,2
  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, I. V.; Tanchuk, V. Y.; Kasheva, T. N.; Villa, A. E. (2001). „Estimation of aqueous solubility of chemical compounds using E-state indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.  Текст „noedit” игнорисан (помоћ)
  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”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.  Текст „noedit” игнорисан (помоћ)

Spoljašnje veze

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Tipifarnib
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