General Information of the Compound
| Compound ID |
CP0375698
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| Compound Name |
3-{4-{2-Amino-6-[4-(3-trifluoromethyl-benzyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C32H32F3N5O4
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| Molecular Weight |
607.633
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| Canonical SMILES |
CC(Cc1ccc(Oc2cc(nc(N)n2)N2CCN(Cc3cccc(c3)C(F)(F)F)CC2)cc1)(Oc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C32H32F3N5O4/c1-31(29(41)42,44-26-8-3-2-4-9-26)20-22-10-12-25(13-11-22)43-28-19-27(37-30(36)38-28)40-16-14-39(15-17-40)21-23-6-5-7-24(18-23)32(33,34)35/h2-13,18-19H,14-17,20-21H2,1H3,(H,41,42)(H2,36,37,38)
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| InChIKey |
ISAYAZQESZCJCU-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