General Information of the Compound
| Compound ID |
CP0414495
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| Compound Name |
US9326978, 34
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| Structure |
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| Formula |
C21H19ClN4
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| Molecular Weight |
362.864
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| Canonical SMILES |
Clc1ccc(Nc2nc3ccccc3c3[nH]c(nc23)C2CCCC2)cc1
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| InChI |
InChI=1S/C21H19ClN4/c22-14-9-11-15(12-10-14)23-21-19-18(16-7-3-4-8-17(16)24-21)25-20(26-19)13-5-1-2-6-13/h3-4,7-13H,1-2,5-6H2,(H,23,24)(H,25,26)
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| InChIKey |
ULXQEAQZAZBLPR-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