General Information of the Compound
| Compound ID |
CP0376396
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| Compound Name |
8-Methyl-2-[5-(4-methyl-piperazin-1-ylmethyl)-furan-2-yl]-9-methylsulfanyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
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| Structure |
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| Formula |
C18H23N9OS
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| Molecular Weight |
413.511
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| Canonical SMILES |
CSc1n(C)nc2nc(N)n3nc(nc3c12)-c1ccc(CN2CCN(C)CC2)o1
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| InChI |
InChI=1S/C18H23N9OS/c1-24-6-8-26(9-7-24)10-11-4-5-12(28-11)14-20-16-13-15(21-18(19)27(16)23-14)22-25(2)17(13)29-3/h4-5H,6-10H2,1-3H3,(H2,19,21,22)
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| InChIKey |
BOMFNSUAEWGFHP-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