General Information of the Compound
| Compound ID |
CP0469719
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| Compound Name |
(S)-ethyl 5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-2-carboxylate
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| Structure |
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| Formula |
C23H21N7O5
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| Molecular Weight |
475.465
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| Canonical SMILES |
CCOC(=O)[C@H]1Oc2ccc(CCCn3ncc4c5nc(nn5c(N)nc34)-c3ccco3)cc2O1
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| InChI |
InChI=1S/C23H21N7O5/c1-2-32-21(31)22-34-15-8-7-13(11-17(15)35-22)5-3-9-29-19-14(12-25-29)20-26-18(16-6-4-10-33-16)28-30(20)23(24)27-19/h4,6-8,10-12,22H,2-3,5,9H2,1H3,(H2,24,27)/t22-/m0/s1
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| InChIKey |
HLYUSSPLIJFDJS-QFIPXVFZSA-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3