General Information of the Compound
| Compound ID |
CP0893219
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| Compound Name |
3-(4-(2-Amino-6-(4-(furan-2-carbonyl)piperazin-1-yl)pyrimidin-4-yloxy)phenyl)-2-methyl-2-phenoxypropanoic acid
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| Structure |
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| Formula |
C29H29N5O6
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| Molecular Weight |
543.58
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(N3CCN(C(=O)c4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O
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| InChI |
InChI=1S/C29H29N5O6/c1-29(27(36)37,40-22-6-3-2-4-7-22)19-20-9-11-21(12-10-20)39-25-18-24(31-28(30)32-25)33-13-15-34(16-14-33)26(35)23-8-5-17-38-23/h2-12,17-18H,13-16,19H2,1H3,(H,36,37)(H2,30,31,32)
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| InChIKey |
VXWUROHCGULBAW-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: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma