General Information of the Compound
| Compound ID |
CP0860933
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| Compound Name |
6-guanidino-2-(3''-indolylethyloxy)adenosine
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| Structure |
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| Formula |
C21H24N8O5
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| Molecular Weight |
468.474
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| Canonical SMILES |
N=C(N)Nc1nc(OCCc2c[nH]c3ccccc23)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H24N8O5/c22-20(23)26-17-14-18(29(9-25-14)19-16(32)15(31)13(8-30)34-19)28-21(27-17)33-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,30-32H,5-6,8H2,(H4,22,23,26,27,28)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
RDUQRAUYJHCRJD-NVQRDWNXSA-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