General Information of the Compound
| Compound ID |
CP0857631
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| Compound Name |
3-{4-{2-Amino-6-[4-(2-methoxy-benzoyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C32H33N5O6
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| Molecular Weight |
583.645
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| Canonical SMILES |
COc1ccccc1C(=O)N1CCN(c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(=O)O)cc3)nc(N)n2)CC1
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| InChI |
InChI=1S/C32H33N5O6/c1-32(30(39)40,43-24-8-4-3-5-9-24)21-22-12-14-23(15-13-22)42-28-20-27(34-31(33)35-28)36-16-18-37(19-17-36)29(38)25-10-6-7-11-26(25)41-2/h3-15,20H,16-19,21H2,1-2H3,(H,39,40)(H2,33,34,35)
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| InChIKey |
QXEQNOFQVNYCAC-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