PipISB
Klinički podaci
AHFS/Drugs.com
Monografija
Identifikatori
ATC kod
nije dodeljen
PubChem [1] [2]
58975213
Hemijski podaci
Formula
C 27 H 26 F N 3 O 3 S
Mol. masa
491,577
SMILES
eMolekuli & PubHem
InChI
InChI=1S/C27H26FN3O3S/c28-22-12-8-20(9-13-22)18-29-27(32)21-10-14-23(15-11-21)35(33,34)31-19-26(30-16-4-1-5-17-30)24-6-2-3-7-25(24)31/h2-3,6-15,19H,1,4-5,16-18H2,(H,29,32)
Key: RXTQWWFLLRSBCM-UHFFFAOYSA-N Y
Farmakoinformacioni podaci
Trudnoća
?
Pravni status
PipISB je organsko jedinjenje , koje sadrži 27 atoma ugljenika i ima molekulsku masu od 491,577 Da .
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery." . Drug Discov Today 15 (23-24): 1052–7. doi :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4 : 217–241. doi :10.1016/S1574-1400(08)00012-1 .
↑ Ghose, A.K., Viswanadhan V.N., and 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. doi :10.1021/ci000392t . PMID 11749573 .
↑ 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. doi :10.1021/jm000942e . PMID 11020286 .