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You are searching for "CFAMM00302658" in compound. Total 1 results found.
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.
CFAM Mol ID | CFAMM00302658 |
Family | CFFID4113 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Family |
Superfamily | CFSID2779 Inositol 1,4,5-trisphosphate receptor type 3 Ligand 5'-deoxy-5'-phenyladenophostin A Superfamily |
Class | CFCCD476 Class 1289 |
External ID | CHEMBL1162164 |
External Source | CHEMBL |
PubChem CID |
16739158 |
Functional Category |
Bioactive |
Molecule Name |
[(3aR,4R,6R,6aR)-4-[6-(phenylcarbamoylamino)purin-9-yl]-2-(2-phenylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate |
IUPAC Name |
[(3aR,4R,6R,6aR)-4-[6-(phenylcarbamoylamino)purin-9-yl]-2-(2-phenylethynyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate |
Synonyms |
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InChi |
InChI=1S/C26H23N6O8P/c33-26(30-17-9-5-2-6-10-17)31-23-20-24(28-14-27-23)32(15-29-20)25-22-21(18(38-25)13-37-41(34,35)36)39-19(40-22)12-11-16-7-3-1-4-8-16/h1-10,14-15,18-19,21-22,25H,13H2,(H2,34,35,36)(H2,27,28,30,31,33)/t18-,19?,21-,22-,25-/m1/s1 |
InChiKey |
MPBHAGPNVWBUTJ-RBTCWQMQSA-N |
Formula | C26H23N6O8P |
Molecular Weight | 578.47 |
Cross Link | CHEMBL1162164 |
Structure |
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Statistics of CFAM Database |
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes. |
How to cite our database |
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering.
Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
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Last update by |
2014.08.29
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Dr.
Chen Yuzong
Deputy
Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore
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