General Information of the Compound
| Compound ID |
CP0442710
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| Compound Name |
2-(4-cyclopentylmethyl-1,2,3-triazol-1-yl)-N6-methyl-9-(beta-Dribofuranosyl)adenine
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| Structure |
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| Formula |
C19H26N8O4
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| Molecular Weight |
430.469
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| Canonical SMILES |
CNc1nc(nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)-n1cc(CC2CCCC2)nn1
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| InChI |
InChI=1S/C19H26N8O4/c1-20-16-13-17(26(9-21-13)18-15(30)14(29)12(8-28)31-18)23-19(22-16)27-7-11(24-25-27)6-10-4-2-3-5-10/h7,9-10,12,14-15,18,28-30H,2-6,8H2,1H3,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
UVCPEXPHSCKQFM-SCFUHWHPSA-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: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3
Protein ID: PT01827, Adenosine receptor A3