CAR-226,086 je organsko jedinjenje, koje sadrži 21 atom ugljenika i ima molekulsku masu od 343,460 Da.
CAR-226,086
|
|
|
| Klinički podaci
|
| AHFS/Drugs.com
|
Monografija
|
| Identifikatori
|
| CAS broj
|
64471-85-8
|
| ATC kod
|
nije dodeljen
|
| PubChem[1][2]
|
3049107
|
| Hemijski podaci
|
| Formula
|
C21H29NO3
|
| Mol. masa
|
343,460
|
| SMILES
|
eMolekuli & PubHem
|
| InChI |
|---|
InChI=1S/C21H29NO3/c1-22-17-11-13-18(22)19(14-12-17)25-20(23)21(24,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-19,24H,5-6,9-14H2,1H3/t17-,18+,19-,21-/m0/s1
Key: LZCYWXGWYVKLRQ-JTJHWIPRSA-N  Y |
|
| Farmakoinformacioni podaci
|
| Trudnoća
|
?
|
| Pravni status
|
|
- ↑ 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.
