General Information of the Compound
| Compound ID |
CP0494164
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| Compound Name |
3-Cyclopentyl-N-[6-cyclopentylamino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-9H-purin-2-yl]-propionamide
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| Structure |
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| Formula |
C23H34N6O5
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| Molecular Weight |
474.562
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)nc(NC(=O)CCC3CCCC3)nc12
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| InChI |
InChI=1S/C23H34N6O5/c30-11-15-18(32)19(33)22(34-15)29-12-24-17-20(25-14-7-3-4-8-14)27-23(28-21(17)29)26-16(31)10-9-13-5-1-2-6-13/h12-15,18-19,22,30,32-33H,1-11H2,(H2,25,26,27,28,31)/t15-,18-,19-,22-/m1/s1
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| InChIKey |
UDHHOFDCGWIOCY-CIVUBGFFSA-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: PT01279, Adenosine receptor A3