General Information of the Compound
| Compound ID |
CP0866065
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| Compound Name |
(+)-R-Cyclohexylammonium 2-{4-[2-(N-Heptyl-N-(benzoxazol-2-yl)amino-ethyl)]phenoxy}-3-phenyl-propanoate
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| Structure |
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| Formula |
C37H49N3O4
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| Molecular Weight |
599.816
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| Canonical SMILES |
CCCCCCCN(CCc1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1.NC1CCCCC1
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| InChI |
InChI=1S/C31H36N2O4.C6H13N/c1-2-3-4-5-11-21-33(31-32-27-14-9-10-15-28(27)37-31)22-20-24-16-18-26(19-17-24)36-29(30(34)35)23-25-12-7-6-8-13-25;7-6-4-2-1-3-5-6/h6-10,12-19,29H,2-5,11,20-23H2,1H3,(H,34,35);6H,1-5,7H2/t29-;/m1./s1
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| InChIKey |
KQVYIGLKGUWHDO-XXIQNXCHSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma