General Information of the Compound
| Compound ID |
CP0346384
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| Compound Name |
(S)-2-(4-((3-(2,4-dichlorophenylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-2-methylphenoxy)acetic acid
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| Structure |
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| Formula |
C26H24Cl2N2O4
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| Molecular Weight |
499.394
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| Canonical SMILES |
Cc1cc(CN2Cc3ccccc3C[C@H]2C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C26H24Cl2N2O4/c1-16-10-17(6-9-24(16)34-15-25(31)32)13-30-14-19-5-3-2-4-18(19)11-23(30)26(33)29-22-8-7-20(27)12-21(22)28/h2-10,12,23H,11,13-15H2,1H3,(H,29,33)(H,31,32)/t23-/m0/s1
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| InChIKey |
IFWLWDBQOZCTFZ-QHCPKHFHSA-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma