General Information of the Compound
| Compound ID |
CP0350133
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| Compound Name |
phenylpropanoic acid derivative, 32
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
CN(CC#Cc1ccc(CC(C(O)=O)n2cccc2)cc1)c1ccccn1
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| InChI |
InChI=1S/C22H21N3O2/c1-24(21-8-2-3-13-23-21)14-6-7-18-9-11-19(12-10-18)17-20(22(26)27)25-15-4-5-16-25/h2-5,8-13,15-16,20H,14,17H2,1H3,(H,26,27)
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| InChIKey |
PXAWWPNIQSYFSW-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma