General Information of the Compound
| Compound ID |
CP0447324
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| Compound Name |
2,2'-(4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenylazanediyl)diethanol
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| Structure |
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| Formula |
C23H26N8O3
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| Molecular Weight |
462.514
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| Canonical SMILES |
Nc1nc2n(CCCc3ccc(cc3)N(CCO)CCO)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C23H26N8O3/c24-23-27-21-18(22-26-20(28-31(22)23)19-4-2-14-34-19)15-25-30(21)9-1-3-16-5-7-17(8-6-16)29(10-12-32)11-13-33/h2,4-8,14-15,32-33H,1,3,9-13H2,(H2,24,27)
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| InChIKey |
KNDXQOBJPNIBGT-UHFFFAOYSA-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