General Information of the Compound
| Compound ID |
CP0540746
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| Compound Name |
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenoxy)-N-(pentan-3-yl)acetamide
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| Structure |
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| Formula |
C29H32N6O3
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| Molecular Weight |
512.614
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| Canonical SMILES |
CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCOCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C29H32N6O3/c1-3-22(4-2)32-27(36)18-38-24-7-5-6-20(14-24)28-34-26-12-13-37-17-25(26)29(35-28)33-23-10-8-19(9-11-23)21-15-30-31-16-21/h5-11,14-16,22H,3-4,12-13,17-18H2,1-2H3,(H,30,31)(H,32,36)(H,33,34,35)
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| InChIKey |
INYZDEIOOLAMSY-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