General Information of the Compound
| Compound ID |
CP0401194
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| Compound Name |
1-[5-(cyclohexylamino)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-3-phenylurea
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| Structure |
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| Formula |
C21H22N8O2
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| Molecular Weight |
418.461
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(NC2CCCCC2)nc2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C21H22N8O2/c30-21(23-15-10-5-2-6-11-15)27-20-26-18(22-14-8-3-1-4-9-14)25-19-24-17(28-29(19)20)16-12-7-13-31-16/h2,5-7,10-14H,1,3-4,8-9H2,(H3,22,23,24,25,26,27,28,30)
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| InChIKey |
PBXFOUQUQNIFAX-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