General Information of the Compound
| Compound ID |
CP0422849
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| Compound Name |
4-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzimidamide
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| Structure |
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| Formula |
C20H19N9O
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| Molecular Weight |
401.434
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| Canonical SMILES |
NC(=N)c1ccc(CCCn2ncc3c4nc(nn4c(N)nc23)-c2ccco2)cc1
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| InChI |
InChI=1S/C20H19N9O/c21-16(22)13-7-5-12(6-8-13)3-1-9-28-18-14(11-24-28)19-25-17(15-4-2-10-30-15)27-29(19)20(23)26-18/h2,4-8,10-11H,1,3,9H2,(H3,21,22)(H2,23,26)
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| InChIKey |
ZCGAZJGHUJYERE-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
Protein ID: PT01279, Adenosine receptor A3