General Information of the Compound
| Compound ID |
CP0422166
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| Compound Name |
2-(furan-2-yl)-7-(4-(4-methylpiperazin-1-ylsulfonyl)phenethyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C23H25N9O3S
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| Molecular Weight |
507.58
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| Canonical SMILES |
CN1CCN(CC1)S(=O)(=O)c1ccc(CCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
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| InChI |
InChI=1S/C23H25N9O3S/c1-29-10-12-30(13-11-29)36(33,34)17-6-4-16(5-7-17)8-9-31-21-18(15-25-31)22-26-20(19-3-2-14-35-19)28-32(22)23(24)27-21/h2-7,14-15H,8-13H2,1H3,(H2,24,27)
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| InChIKey |
UIAWUQHFYVTKHM-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