General Information of the Compound
| Compound ID |
CP0485548
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| Compound Name |
1-[9-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methylamino-9H-purin-2-yl]-1H-pyrazole-4-carboxylic acid propylamide
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| Structure |
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| Formula |
C18H24N8O5
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| Molecular Weight |
432.441
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| Canonical SMILES |
CCCNC(=O)c1cnn(c1)-c1nc(NC)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C18H24N8O5/c1-3-4-20-16(30)9-5-22-26(6-9)18-23-14(19-2)11-15(24-18)25(8-21-11)17-13(29)12(28)10(7-27)31-17/h5-6,8,10,12-13,17,27-29H,3-4,7H2,1-2H3,(H,20,30)(H,19,23,24)/t10-,12-,13-,17?/m1/s1
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| InChIKey |
QLELJUGAIBTYHI-VGWNDNRCSA-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