General Information of the Compound
| Compound ID |
CP0388401
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| Compound Name |
5-[(3-Thienylmethyl)carbonyl]amino-8-methyl-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 |
C17H13N7O2S
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| Molecular Weight |
379.405
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| Canonical SMILES |
Cn1cc2c(n1)nc(NC(=O)Cc1ccsc1)n1nc(nc21)-c1ccco1
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| InChI |
InChI=1S/C17H13N7O2S/c1-23-8-11-14(21-23)20-17(18-13(25)7-10-4-6-27-9-10)24-16(11)19-15(22-24)12-3-2-5-26-12/h2-6,8-9H,7H2,1H3,(H,18,20,21,25)
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| InChIKey |
FPXXLJCAHCXGGB-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