General Information of the Compound
| Compound ID |
CP0547702
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| Compound Name |
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)phenoxy)-N-(tert-pentyl)acetamide
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| Structure |
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| Formula |
C28H30N6O3
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| Molecular Weight |
498.587
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| Canonical SMILES |
CCC(C)(C)NC(=O)COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C28H30N6O3/c1-4-28(2,3)34-25(35)17-37-22-7-5-6-19(12-22)26-32-24-16-36-15-23(24)27(33-26)31-21-10-8-18(9-11-21)20-13-29-30-14-20/h5-14H,4,15-17H2,1-3H3,(H,29,30)(H,34,35)(H,31,32,33)
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| InChIKey |
JLQMBEWNDJCPLV-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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3