General Information of the Compound
| Compound ID |
CP0527209
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| Compound Name |
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenoxy)-N-(tert-butyl)acetamide
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
CN1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C29H33N7O2/c1-29(2,3)35-26(37)18-38-23-7-5-6-20(14-23)27-33-25-12-13-36(4)17-24(25)28(34-27)32-22-10-8-19(9-11-22)21-15-30-31-16-21/h5-11,14-16H,12-13,17-18H2,1-4H3,(H,30,31)(H,35,37)(H,32,33,34)
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| InChIKey |
JRQYXWVDIBVRHN-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