General Information of the Compound
| Compound ID |
CP0405517
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| Compound Name |
2-(3-chlorophenyl)-N-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)acetamide
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| Structure |
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| Formula |
C19H14ClN7O2
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| Molecular Weight |
407.821
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Cc1cccc(Cl)c1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C19H14ClN7O2/c1-26-10-13-16(24-26)23-19(21-15(28)9-11-4-2-5-12(20)8-11)27-18(13)22-17(25-27)14-6-3-7-29-14/h2-8,10H,9H2,1H3,(H,21,23,24,28)
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| InChIKey |
CAEIDEVSQAUGPM-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: PT01278, Adenosine receptor A2b