General Information of the Compound
| Compound ID |
CP0391140
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| Compound Name |
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidin-1-yl]benzonitrile
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| Structure |
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| Formula |
C23H21N7O
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| Molecular Weight |
411.469
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1ncnc2n(ncc12)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C23H21N7O/c1-31-21-8-3-2-7-20(21)28-9-11-29(12-10-28)22-19-15-27-30(23(19)26-16-25-22)18-6-4-5-17(13-18)14-24/h2-8,13,15-16H,9-12H2,1H3
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| InChIKey |
SLJHJMKUVDGUKD-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