General Information of the Compound
| Compound ID |
CP0145446
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| Compound Name |
phenylpropanoic acid derivative, 76
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| Structure |
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
CC(=O)N(Cc1nc(oc1C)-c1ccccc1)Cc1ccc(C[C@@H](C(O)=O)n2cccc2)cc1
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| InChI |
InChI=1S/C27H27N3O4/c1-19-24(28-26(34-19)23-8-4-3-5-9-23)18-30(20(2)31)17-22-12-10-21(11-13-22)16-25(27(32)33)29-14-6-7-15-29/h3-15,25H,16-18H2,1-2H3,(H,32,33)/t25-/m0/s1
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| InChIKey |
QWVMMWLVLYZWJO-VWLOTQADSA-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