General Information of the Compound
| Compound ID |
CP0469403
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| Compound Name |
3-(3-chloro-1H-pyrazol-5-yl)-1,2-dihydroquinoxalin-2-one
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| Synonyms |
3-(3-chloro-1H-pyrazol-5-yl)quinoxalin-2(1H)-one
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| Structure |
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| Formula |
C11H7ClN4O
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| Molecular Weight |
246.657
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| Canonical SMILES |
Clc1cc(n[nH]1)-c1nc2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C11H7ClN4O/c12-9-5-8(15-16-9)10-11(17)14-7-4-2-1-3-6(7)13-10/h1-5H,(H,14,17)(H,15,16)
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| InChIKey |
HKRYFPDYIBYUGZ-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: PT01279, Adenosine receptor A3
Clinical Information about the Compound