General Information of the Compound
| Compound ID |
CP0547697
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| Compound Name |
US10729691, Example 13
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| Structure |
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| Formula |
C28H28N6O3
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| Molecular Weight |
496.571
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| Canonical SMILES |
O=C(COc1cccc(c1)-c1nc2COCc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)NC1CCCC1
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| InChI |
InChI=1S/C28H28N6O3/c35-26(31-21-5-1-2-6-21)17-37-23-7-3-4-19(12-23)27-33-25-16-36-15-24(25)28(34-27)32-22-10-8-18(9-11-22)20-13-29-30-14-20/h3-4,7-14,21H,1-2,5-6,15-17H2,(H,29,30)(H,31,35)(H,32,33,34)
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| InChIKey |
KPLFNPGYGFFUAH-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