General Information of the Compound
| Compound ID |
CP0545722
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| Compound Name |
US10729691, Example 4
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| Structure |
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| Formula |
C26H24N6O3
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| Molecular Weight |
468.517
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| Canonical SMILES |
O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CC1
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| InChI |
InChI=1S/C26H24N6O3/c33-24(29-19-8-9-19)15-35-21-3-1-2-17(10-21)25-31-23-14-34-13-22(23)26(32-25)30-20-6-4-16(5-7-20)18-11-27-28-12-18/h1-7,10-12,19H,8-9,13-15H2,(H,27,28)(H,29,33)(H,30,31,32)
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| InChIKey |
RYJMJCJWMWMLJV-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