General Information of the Compound
| Compound ID |
CP0547555
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| Compound Name |
2-(3-(4-((4-(1H-pyrazol-4-yl)phenyl)amino)-6-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenoxy)-N-(pentan-3-yl)acetamide
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| Structure |
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| Formula |
C30H35N7O2
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| Molecular Weight |
525.657
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| Canonical SMILES |
CCC(CC)NC(=O)COc1cccc(c1)-c1nc2CCN(C)Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1
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| InChI |
InChI=1S/C30H35N7O2/c1-4-23(5-2)33-28(38)19-39-25-8-6-7-21(15-25)29-35-27-13-14-37(3)18-26(27)30(36-29)34-24-11-9-20(10-12-24)22-16-31-32-17-22/h6-12,15-17,23H,4-5,13-14,18-19H2,1-3H3,(H,31,32)(H,33,38)(H,34,35,36)
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| InChIKey |
VXKAOEFNKQZVOS-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