General Information of the Compound
| Compound ID |
CP0408626
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| Compound Name |
1-deoxy-1-{6-[N'-(1-methyl-4-nitro-1H-imidazole-2-carbonyl)-hydrazino]-9H-purin-9-yl}-N-ethyl-beta-D-ribofuranuronamide
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| Structure |
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| Formula |
C17H20N10O7
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| Molecular Weight |
476.41
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NNC(=O)c3nc(cn3C)[N+]([O-])=O)ncnc12
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| InChI |
InChI=1S/C17H20N10O7/c1-3-18-15(30)11-9(28)10(29)17(34-11)26-6-21-8-12(19-5-20-13(8)26)23-24-16(31)14-22-7(27(32)33)4-25(14)2/h4-6,9-11,17,28-29H,3H2,1-2H3,(H,18,30)(H,24,31)(H,19,20,23)/t9-,10+,11-,17+/m0/s1
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| InChIKey |
ZZHJUEORHRSICM-VZVWNTEVSA-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