General Information of the Compound
| Compound ID |
CP0375697
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| Compound Name |
3-{4-{2-Amino-6-[4-(3-methyl-benzyl)-piperazin-1-yl]-pyrimidin-4-yloxy}-phenyl}-2-methyl-2-phenoxy-propionic acid
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| Structure |
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| Formula |
C32H35N5O4
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| Molecular Weight |
553.663
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| Canonical SMILES |
Cc1cccc(CN2CCN(CC2)c2cc(Oc3ccc(CC(C)(Oc4ccccc4)C(O)=O)cc3)nc(N)n2)c1
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| InChI |
InChI=1S/C32H35N5O4/c1-23-7-6-8-25(19-23)22-36-15-17-37(18-16-36)28-20-29(35-31(33)34-28)40-26-13-11-24(12-14-26)21-32(2,30(38)39)41-27-9-4-3-5-10-27/h3-14,19-20H,15-18,21-22H2,1-2H3,(H,38,39)(H2,33,34,35)
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| InChIKey |
MSAVXZXUNVFVGT-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