General Information of the Compound
| Compound ID |
CP0398523
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| Compound Name |
3-[[2-(1,3-benzodioxole-5-carbonylamino)benzoyl]amino]benzoic acid
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| Structure |
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| Formula |
C22H16N2O6
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| Molecular Weight |
404.378
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3OCOc3c2)c1
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| InChI |
InChI=1S/C22H16N2O6/c25-20(13-8-9-18-19(11-13)30-12-29-18)24-17-7-2-1-6-16(17)21(26)23-15-5-3-4-14(10-15)22(27)28/h1-11H,12H2,(H,23,26)(H,24,25)(H,27,28)
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| InChIKey |
JYGNHKASLKGALM-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: PT01286, Bile acid receptor
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma