General Information of the Compound
| Compound ID |
CP0880309
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| Compound Name |
2-Ethylamino-N6-cyclopentyladenosine-5'-N-methylcarboxamide
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| Structure |
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| Formula |
C18H27N7O4
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| Molecular Weight |
405.459
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| Canonical SMILES |
CCNc1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](C(=O)NC)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C18H27N7O4/c1-3-20-18-23-14(22-9-6-4-5-7-9)10-15(24-18)25(8-21-10)17-12(27)11(26)13(29-17)16(28)19-2/h8-9,11-13,17,26-27H,3-7H2,1-2H3,(H,19,28)(H2,20,22,23,24)/t11-,12+,13-,17+/m0/s1
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| InChIKey |
VCEGMGYGAGZEIK-PFHKOEEOSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3