General Information of the Compound
| Compound ID |
CP0428193
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| Compound Name |
1-deoxy-1-{6-[N'-(5-methyl-thiophene-2-carbonyl)-hydrazino]-9H-purin-9-yl}-N-ethyl-beta-Dribofuranuronamide
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| Structure |
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| Formula |
C18H21N7O5S
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| Molecular Weight |
447.477
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3ccc(C)s3)ncnc12
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| InChI |
InChI=1S/C18H21N7O5S/c1-3-19-17(29)13-11(26)12(27)18(30-13)25-7-22-10-14(20-6-21-15(10)25)23-24-16(28)9-5-4-8(2)31-9/h4-7,11-13,18,26-27H,3H2,1-2H3,(H,19,29)(H,24,28)(H,20,21,23)/t11-,12+,13-,18+/m0/s1
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| InChIKey |
JYAGDMDKAMZIDG-CVXDAYKESA-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