General Information of the Compound
| Compound ID |
CP0405407
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| Compound Name |
1-[2-Furan-2-yl-8-methyl-9-(4-methyl-piperazin-1-yl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl]-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C24H26N10O3
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| Molecular Weight |
502.539
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2nc3nn(C)c(N4CCN(C)CC4)c3c3nc(nn23)-c2ccco2)cc1
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| InChI |
InChI=1S/C24H26N10O3/c1-31-10-12-33(13-11-31)22-18-20(29-32(22)2)27-23(28-24(35)25-15-6-8-16(36-3)9-7-15)34-21(18)26-19(30-34)17-5-4-14-37-17/h4-9,14H,10-13H2,1-3H3,(H2,25,27,28,29,35)
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| InChIKey |
HVXDWPXMPDWBAE-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