General Information of the Compound
| Compound ID |
CP0403351
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| Compound Name |
5-[[2-(naphthalene-2-carbonylamino)benzoyl]amino]pentanoic acid
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| Structure |
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| Formula |
C23H22N2O4
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| Molecular Weight |
390.439
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| Canonical SMILES |
OC(=O)CCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C23H22N2O4/c26-21(27)11-5-6-14-24-23(29)19-9-3-4-10-20(19)25-22(28)18-13-12-16-7-1-2-8-17(16)15-18/h1-4,7-10,12-13,15H,5-6,11,14H2,(H,24,29)(H,25,28)(H,26,27)
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| InChIKey |
VLCVGZJISDPOCZ-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: PT00915, Peroxisome proliferator-activated receptor gamma