General Information of the Compound
| Compound ID |
CP0037172
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| Compound Name |
3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one
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| Synonyms |
ZAPRINAST
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| Structure |
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| Formula |
C13H13N5O2
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| Molecular Weight |
271.28
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| Canonical SMILES |
CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
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| InChI |
InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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| InChIKey |
REZGGXNDEMKIQB-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: PT00624, G protein-coupled receptor GPR35
Protein ID: PT03308, G-protein coupled receptor 35
Cell-based Assay
Protein ID: PT06259, G-protein coupled receptor 35
Protein ID: PT06109, Geminin
Clinical Information about the Compound