General Information of the Compound
| Compound ID |
CP0077262
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| Compound Name |
4-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methoxy]-3-methyl-1-(7H-purin-6-yl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
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| Structure |
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| Formula |
C21H18FN7O4
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| Molecular Weight |
451.418
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| Canonical SMILES |
Cc1nn(c2NC(=O)CC(OCc3cc(F)cc4COCOc34)c12)-c1ncnc2nc[nH]c12
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| InChI |
InChI=1S/C21H18FN7O4/c1-10-16-14(32-6-12-3-13(22)2-11-5-31-9-33-18(11)12)4-15(30)27-20(16)29(28-10)21-17-19(24-7-23-17)25-8-26-21/h2-3,7-8,14H,4-6,9H2,1H3,(H,27,30)(H,23,24,25,26)
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| InChIKey |
GGHNDEIHCIKSNC-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: PT03123, G-protein coupled receptor 39
Protein ID: PT05121, G-protein coupled receptor 39