General Information of the Compound
| Compound ID |
CP0917467
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| Compound Name |
5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (3,3,3-trifluoro-propyl)-amide
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| Structure |
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| Formula |
C13H15F3N6O4
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| Molecular Weight |
376.295
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| Canonical SMILES |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCC(F)(F)F)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C13H15F3N6O4/c14-13(15,16)1-2-18-11(25)8-6(23)7(24)12(26-8)22-4-21-5-9(17)19-3-20-10(5)22/h3-4,6-8,12,23-24H,1-2H2,(H,18,25)(H2,17,19,20)/t6-,7+,8-,12+/m0/s1
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| InChIKey |
QWRNEBVVBXKNKT-FLNNQWSLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3