General Information of the Compound
| Compound ID |
CP0416585
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| Compound Name |
2-[3-[6-ethyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
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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 |
CCN1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)C)c1
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| InChI |
InChI=1S/C29H33N7O2/c1-4-36-13-12-26-25(17-36)29(33-23-10-8-20(9-11-23)22-15-30-31-16-22)35-28(34-26)21-6-5-7-24(14-21)38-18-27(37)32-19(2)3/h5-11,14-16,19H,4,12-13,17-18H2,1-3H3,(H,30,31)(H,32,37)(H,33,34,35)
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| InChIKey |
WKIUMPLZUHUCOC-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