General Information of the Compound
| Compound ID |
CP0437542
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| Compound Name |
2-[3-[6-cyclopropyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C30H33N7O2
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| Molecular Weight |
523.641
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| Canonical SMILES |
CC(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C1CC1
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| InChI |
InChI=1S/C30H33N7O2/c1-19(2)33-28(38)18-39-25-5-3-4-21(14-25)29-35-27-12-13-37(24-10-11-24)17-26(27)30(36-29)34-23-8-6-20(7-9-23)22-15-31-32-16-22/h3-9,14-16,19,24H,10-13,17-18H2,1-2H3,(H,31,32)(H,33,38)(H,34,35,36)
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| InChIKey |
NFZSKIKFKFMYAP-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