General Information of the Compound
| Compound ID |
CP0395753
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| Compound Name |
1-[4-(furan-2-yl)-11-propyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C22H21N7O3
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| Molecular Weight |
431.456
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| Canonical SMILES |
CCCn1cc2nc(NC(=O)Nc3ccc(OC)cc3)n3nc(nc3c2c1)-c1ccco1
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| InChI |
InChI=1S/C22H21N7O3/c1-3-10-28-12-16-17(13-28)24-21(26-22(30)23-14-6-8-15(31-2)9-7-14)29-20(16)25-19(27-29)18-5-4-11-32-18/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,26,30)
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| InChIKey |
ICGBCZUFVWBFGJ-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