General Information of the Compound
| Compound ID |
CP0542206
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| Compound Name |
2-(furan-2-yl)-5-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
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| Structure |
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| Formula |
C26H22N6O3
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| Molecular Weight |
466.501
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| Canonical SMILES |
O=C(Cc1ccccc1)Nc1ncc(C(=O)NCCc2ccccc2)c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C26H22N6O3/c33-22(16-19-10-5-2-6-11-19)29-26-28-17-20(25(34)27-14-13-18-8-3-1-4-9-18)24-30-23(31-32(24)26)21-12-7-15-35-21/h1-12,15,17H,13-14,16H2,(H,27,34)(H,28,29,33)
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| InChIKey |
QTZWGFGOCQGUEI-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