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You are searching for "CFAMM00302645" 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 | CFAMM00302645 |
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 | CHEMBL1162175 |
External Source | CHEMBL |
PubChem CID |
11273179 |
Functional Category |
Bioactive |
Molecule Name |
Regrelor |
IUPAC Name |
[(2S,3aR,4R,6R,6aR)-4-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl dihydrogen phosphate |
Synonyms |
UNII-Q6C8TY6SW1;INS50589;Regrelor [INN];Q6C8TY6SW1;GTPL1770;[(2S,3aR,4R,6R,6aR)-6-[6-(ethylcarbamoylamino)purin-9-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-4-yl]methyl dihydrogen phosphate;787548-03-2 |
InChi |
InChI=1S/C22H25N6O8P/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29)/b9-8+/t14-,15+,17-,18-,21-/m1/s1 |
InChiKey |
NXHAXEBZOXCDKD-XIXRRVGJSA-N |
Formula | C22H25N6O8P |
Molecular Weight | 532.44 |
Cross Link | CHEMBL1162175 |
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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