General Information of the Compound
| Compound ID |
CP0405377
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| Compound Name |
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-ylamine; dihydrochloride
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| Structure |
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| Formula |
C16H19N9O
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| Molecular Weight |
353.39
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| Canonical SMILES |
CN1CCN(CC1)c1n(C)nc2nc(N)n3nc(nc3c12)-c1ccco1
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| InChI |
InChI=1S/C16H19N9O/c1-22-5-7-24(8-6-22)15-11-13(20-23(15)2)19-16(17)25-14(11)18-12(21-25)10-4-3-9-26-10/h3-4,9H,5-8H2,1-2H3,(H2,17,19,20)
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| InChIKey |
ZJDDZFRXMHNEHD-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