General Information of the Compound
| Compound ID |
CP0389767
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| Compound Name |
5-Dimethylamino-2-(2-furyl)-7-[4-(methoxyphenyl)-acetyl]amino-[1,2,4]triazolo[1,5-a]-[1,3,5]triazine
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| Structure |
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| Formula |
C19H19N7O3
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| Molecular Weight |
393.407
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2nc(nc3nc(nn23)-c2ccco2)N(C)C)cc1
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| InChI |
InChI=1S/C19H19N7O3/c1-25(2)17-22-18(20-15(27)11-12-6-8-13(28-3)9-7-12)26-19(23-17)21-16(24-26)14-5-4-10-29-14/h4-10H,11H2,1-3H3,(H,20,21,22,23,24,27)
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| InChIKey |
JLFPCGNSVPGCPV-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