General Information of the Compound
| Compound ID |
CP0549291
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| Compound Name |
N-tert-butyl-2-[3-[6-cyclobutyl-4-[4-(1H-pyrazol-4-yl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]phenoxy]acetamide
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| Structure |
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| Formula |
C32H37N7O2
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| Molecular Weight |
551.695
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| Canonical SMILES |
CC(C)(C)NC(=O)COc1cccc(c1)-c1nc2CCN(Cc2c(Nc2ccc(cc2)-c2cn[nH]c2)n1)C1CCC1
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| InChI |
InChI=1S/C32H37N7O2/c1-32(2,3)38-29(40)20-41-26-9-4-6-22(16-26)30-36-28-14-15-39(25-7-5-8-25)19-27(28)31(37-30)35-24-12-10-21(11-13-24)23-17-33-34-18-23/h4,6,9-13,16-18,25H,5,7-8,14-15,19-20H2,1-3H3,(H,33,34)(H,38,40)(H,35,36,37)
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| InChIKey |
AIRZCVGMOIZQHG-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