General Information of the Compound
| Compound ID |
CP0520922
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| Compound Name |
2-(4-Chloro-phenyl)-4-cyclohexylamino-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
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| Structure |
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| Formula |
C21H20ClN5O
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| Molecular Weight |
393.878
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| Canonical SMILES |
Clc1ccc(cc1)-n1nc2c(NC3CCCCC3)nc3ccccc3n2c1=O
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| InChI |
InChI=1S/C21H20ClN5O/c22-14-10-12-16(13-11-14)27-21(28)26-18-9-5-4-8-17(18)24-19(20(26)25-27)23-15-6-2-1-3-7-15/h4-5,8-13,15H,1-3,6-7H2,(H,23,24)
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| InChIKey |
NRFQPBASKWHNSO-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: PT01279, Adenosine receptor A3