General Information of the Compound
| Compound ID |
CP0418627
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| Compound Name |
5-[(2-Thienylmethyl)carbonyl]amino-8-(2-phenylethyl)-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
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| Structure |
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| Formula |
C24H19N7O2S
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| Molecular Weight |
469.53
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| Canonical SMILES |
O=C(Cc1cccs1)Nc1nc2nn(CCc3ccccc3)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C24H19N7O2S/c32-20(14-17-8-5-13-34-17)25-24-27-21-18(15-30(28-21)11-10-16-6-2-1-3-7-16)23-26-22(29-31(23)24)19-9-4-12-33-19/h1-9,12-13,15H,10-11,14H2,(H,25,27,28,32)
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| InChIKey |
AZLDXOUTWIDEOW-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: PT01278, Adenosine receptor A2b