General Information of the Compound
| Compound ID |
CP0384189
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| Compound Name |
4-(5-Amino-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-phenol
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| Structure |
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| Formula |
C20H17N7O
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| Molecular Weight |
371.404
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| Canonical SMILES |
Nc1nc2n(CCc3ccccc3)ncc2c2nc(nn12)-c1ccc(O)cc1
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| InChI |
InChI=1S/C20H17N7O/c21-20-24-18-16(12-22-26(18)11-10-13-4-2-1-3-5-13)19-23-17(25-27(19)20)14-6-8-15(28)9-7-14/h1-9,12,28H,10-11H2,(H2,21,24)
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| InChIKey |
NVZPXCAHWZJVHG-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