General Information of the Compound
| Compound ID |
CP0504306
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| Compound Name |
(S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)phenyl)ethyl)(methoxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C22H21ClN2O6
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| Molecular Weight |
444.871
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| Canonical SMILES |
COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C22H21ClN2O6/c1-14(25(11-20(26)27)22(28)29-2)16-4-3-5-19(10-16)30-12-18-13-31-21(24-18)15-6-8-17(23)9-7-15/h3-10,13-14H,11-12H2,1-2H3,(H,26,27)/t14-/m0/s1
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| InChIKey |
WUZGKDCLUSLLOH-AWEZNQCLSA-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