General Information of the Compound
| Compound ID |
CP0068014
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| Compound Name |
phenylpropanoic acid derivative, 75
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| Structure |
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
CN(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
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| InChI |
InChI=1S/C26H27N3O3/c1-19-23(27-25(32-19)22-8-4-3-5-9-22)18-28(2)17-21-12-10-20(11-13-21)16-24(26(30)31)29-14-6-7-15-29/h3-15,24H,16-18H2,1-2H3,(H,30,31)/t24-/m0/s1
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| InChIKey |
FCXQPXFVLDZXHP-DEOSSOPVSA-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