General Information of the Compound
| Compound ID |
CP0526324
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| Compound Name |
2-[3-[4-[4-(1H-pyrazol-4-yl)anilino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]phenoxy]-1-pyrrolidin-1-ylethanone
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| Structure |
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| Formula |
C27H26N6O3
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| Molecular Weight |
482.544
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| Canonical SMILES |
O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)N1CCCC1
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| InChI |
InChI=1S/C27H26N6O3/c34-25(33-10-1-2-11-33)17-36-22-5-3-4-19(12-22)26-31-24-16-35-15-23(24)27(32-26)30-21-8-6-18(7-9-21)20-13-28-29-14-20/h3-9,12-14H,1-2,10-11,15-17H2,(H,28,29)(H,30,31,32)
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| InChIKey |
NDTZTKPEBGCHCC-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