General Information of the Compound
| Compound ID |
CP0437538
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| Compound Name |
N-tert-butyl-2-[3-[6-(2-methoxyethyl)-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]acetamide
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| Structure |
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| Formula |
C31H37N7O3
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| Molecular Weight |
555.683
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| Canonical SMILES |
COCCN1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C31H37N7O3/c1-31(2,3)37-28(39)20-41-25-7-5-6-22(16-25)29-35-27-12-13-38(14-15-40-4)19-26(27)30(36-29)34-24-10-8-21(9-11-24)23-17-32-33-18-23/h5-11,16-18H,12-15,19-20H2,1-4H3,(H,32,33)(H,37,39)(H,34,35,36)
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| InChIKey |
JMDDXCKPMOKCEA-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