General Information of the Compound
| Compound ID |
CP0387205
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| Compound Name |
2-[3-[[2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]acetic acid
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| Structure |
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| Formula |
C26H20N2O4
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| Molecular Weight |
424.456
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| Canonical SMILES |
OC(=O)Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c1
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| InChI |
InChI=1S/C26H20N2O4/c29-24(30)15-17-6-5-9-21(14-17)27-26(32)22-10-3-4-11-23(22)28-25(31)20-13-12-18-7-1-2-8-19(18)16-20/h1-14,16H,15H2,(H,27,32)(H,28,31)(H,29,30)
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| InChIKey |
MXUCGKHCNSQKER-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma