General Information of the Compound
| Compound ID |
CP0540744
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| Compound Name |
N-tert-butyl-2-[3-[6-propan-2-yl-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 |
C31H37N7O2
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| Molecular Weight |
539.684
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| Canonical SMILES |
CC(C)N1CCc2nc(nc(Nc3ccc(cc3)-c3cn[nH]c3)c2C1)-c1cccc(OCC(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C31H37N7O2/c1-20(2)38-14-13-27-26(18-38)30(34-24-11-9-21(10-12-24)23-16-32-33-17-23)36-29(35-27)22-7-6-8-25(15-22)40-19-28(39)37-31(3,4)5/h6-12,15-17,20H,13-14,18-19H2,1-5H3,(H,32,33)(H,37,39)(H,34,35,36)
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| InChIKey |
VFHBXTRXODMWII-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