General Information of the Compound
| Compound ID |
CP0431136
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| Compound Name |
tert-butyl N-[5-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]pentyl]carbamate
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| Structure |
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| Formula |
C18H26N8O3
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| Molecular Weight |
402.459
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCCCNc1nc(N)n2nc(nc2n1)-c1ccco1
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| InChI |
InChI=1S/C18H26N8O3/c1-18(2,3)29-17(27)21-10-6-4-5-9-20-15-23-14(19)26-16(24-15)22-13(25-26)12-8-7-11-28-12/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,27)(H3,19,20,22,23,24,25)
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| InChIKey |
XYMYZZXRLDMNPU-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