General Information of the Compound
| Compound ID |
CP0505895
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| Compound Name |
5-Amino-pentanoic acid (9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-amide
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| Structure |
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| Formula |
C18H17ClN6O2
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| Molecular Weight |
384.827
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| Canonical SMILES |
NCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C18H17ClN6O2/c19-11-6-7-13-12(10-11)17-23-16(14-4-3-9-27-14)24-25(17)18(21-13)22-15(26)5-1-2-8-20/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,21,22,26)
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| InChIKey |
LZNPOWSAOJXPIZ-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3