General Information of the Compound
| Compound ID |
CP0506141
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| Compound Name |
3-{4-{2-Amino-6-[4-(4-tert-butyl-benzyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C35H41N5O4
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| Molecular Weight |
595.744
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| Canonical SMILES |
CC(C)(C)c1ccc(CN2CCN(CC2)c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(O)=O)cc3)nc(N)n2)cc1
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| InChI |
InChI=1S/C35H41N5O4/c1-34(2,3)27-14-10-26(11-15-27)24-39-18-20-40(21-19-39)30-22-31(38-33(36)37-30)43-28-16-12-25(13-17-28)23-35(4,32(41)42)44-29-8-6-5-7-9-29/h5-17,22H,18-21,23-24H2,1-4H3,(H,41,42)(H2,36,37,38)
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| InChIKey |
XSDHUMOXIOLBPZ-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