General Information of the Compound
| Compound ID |
CP0430028
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| Compound Name |
(S)-2-((1-(3-((2-(4-chlorophenyl)oxazol-4-yl)methoxy)phenyl)ethyl)(m-tolyloxycarbonyl)amino)acetic acid
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| Structure |
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| Formula |
C28H25ClN2O6
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| Molecular Weight |
520.969
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| Canonical SMILES |
C[C@H](N(CC(O)=O)C(=O)Oc1cccc(C)c1)c1cccc(OCc2coc(n2)-c2ccc(Cl)cc2)c1
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| InChI |
InChI=1S/C28H25ClN2O6/c1-18-5-3-8-25(13-18)37-28(34)31(15-26(32)33)19(2)21-6-4-7-24(14-21)35-16-23-17-36-27(30-23)20-9-11-22(29)12-10-20/h3-14,17,19H,15-16H2,1-2H3,(H,32,33)/t19-/m0/s1
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| InChIKey |
YFAZIOINMOYXDH-IBGZPJMESA-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