General Information of the Compound
| Compound ID |
CP0428542
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| Compound Name |
4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
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| Structure |
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| Formula |
C20H18FN5O
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| Molecular Weight |
363.396
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| Canonical SMILES |
Fc1cccc(c1)-n1nc2c(NC3CCCC3)nc3ccccc3n2c1=O
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| InChI |
InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
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| InChIKey |
VPJSDBCWKVHQQA-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