General Information of the Compound
| Compound ID |
CP0395760
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| Compound Name |
tert-butyl N-[3-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]propyl]carbamate
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| Structure |
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| Formula |
C16H22N8O3
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| Molecular Weight |
374.405
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C16H22N8O3/c1-16(2,3)27-15(25)19-8-5-7-18-13-21-12(17)24-14(22-13)20-11(23-24)10-6-4-9-26-10/h4,6,9H,5,7-8H2,1-3H3,(H,19,25)(H3,17,18,20,21,22,23)
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| InChIKey |
FUBARNMNIIXZSL-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