General Information of the Compound
| Compound ID |
CP0533427
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| Compound Name |
N-(2-methylpropyl)-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)CNC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C(C)C
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| InChI |
InChI=1S/C31H37N7O2/c1-20(2)15-32-29(39)19-40-26-7-5-6-23(14-26)30-36-28-12-13-38(21(3)4)18-27(28)31(37-30)35-25-10-8-22(9-11-25)24-16-33-34-17-24/h5-11,14,16-17,20-21H,12-13,15,18-19H2,1-4H3,(H,32,39)(H,33,34)(H,35,36,37)
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| InChIKey |
RFMIGYHSIIZSAB-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