General Information of the Compound
| Compound ID |
CP0877808
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| Compound Name |
4-[({[2-(2-Furyl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]amino}carbonyl)amino]-N-pyridin-4-ylpiperidine-1-carboxamide Trifluoroacetate
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| Structure |
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| Formula |
C25H24F3N11O5
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| Molecular Weight |
615.533
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| Canonical SMILES |
Cn1cc2c(nc(NC(=O)NC3CCN(C(=O)Nc4ccncc4)CC3)n3nc(-c4ccco4)nc23)n1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H23N11O3.C2HF3O2/c1-32-13-16-18(30-32)28-21(34-20(16)27-19(31-34)17-3-2-12-37-17)29-22(35)25-15-6-10-33(11-7-15)23(36)26-14-4-8-24-9-5-14;3-2(4,5)1(6)7/h2-5,8-9,12-13,15H,6-7,10-11H2,1H3,(H,24,26,36)(H2,25,28,29,30,35);(H,6,7)
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| InChIKey |
BMHJQSIHJVFMKF-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