General Information of the Compound
| Compound ID |
CP0429892
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| Compound Name |
3-{4-[2-Amino-6-(4-furan-2-ylmethyl-piperazin-1-yl)-pyrimidin-4-yloxy]-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C29H31N5O5
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| Molecular Weight |
529.597
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3ccco3)CC2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C29H31N5O5/c1-29(27(35)36,39-23-6-3-2-4-7-23)19-21-9-11-22(12-10-21)38-26-18-25(31-28(30)32-26)34-15-13-33(14-16-34)20-24-8-5-17-37-24/h2-12,17-18H,13-16,19-20H2,1H3,(H,35,36)(H2,30,31,32)
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| InChIKey |
RFJPDQMAQLEIQG-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