General Information of the Compound
| Compound ID |
CP0385405
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| Compound Name |
tert-butyl N-[2-[[2-(furan-2-yl)-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]amino]ethyl]carbamate
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| Structure |
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| Formula |
C22H33N9O5
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| Molecular Weight |
503.564
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCNc1nc(NCCNC(=O)OC(C)(C)C)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C22H33N9O5/c1-21(2,3)35-19(32)25-11-9-23-16-28-17(24-10-12-26-20(33)36-22(4,5)6)31-18(29-16)27-15(30-31)14-8-7-13-34-14/h7-8,13H,9-12H2,1-6H3,(H,25,32)(H,26,33)(H2,23,24,27,28,29,30)
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| InChIKey |
WBPQESSCKHAZEZ-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3