General Information of the Compound
| Compound ID |
CP0517585
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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-isopropylacetamide
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| Structure |
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| Formula |
C28H31N7O2
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| Molecular Weight |
497.603
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| Canonical SMILES |
CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(C)Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C28H31N7O2/c1-18(2)31-26(36)17-37-23-6-4-5-20(13-23)27-33-25-11-12-35(3)16-24(25)28(34-27)32-22-9-7-19(8-10-22)21-14-29-30-15-21/h4-10,13-15,18H,11-12,16-17H2,1-3H3,(H,29,30)(H,31,36)(H,32,33,34)
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| InChIKey |
ZLQKLIKDFOCEBV-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