General Information of the Compound
| Compound ID |
CP0490809
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| Compound Name |
2-(4-Chlorophenyl)-7-ethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]-pyrimidin-5-amine
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| Structure |
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| Formula |
C14H12ClN7
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| Molecular Weight |
313.752
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| Canonical SMILES |
CCn1ncc2c1nc(N)n1nc(nc21)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H12ClN7/c1-2-21-12-10(7-17-21)13-18-11(20-22(13)14(16)19-12)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H2,16,19)
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| InChIKey |
WXXKMZHGBWNPMA-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