General Information of the Compound
| Compound ID |
CP0557787
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| Compound Name |
(E)-6-[2-[[3-[4-(furan-2-yl)phenyl]-5-methyltriazol-4-yl]methyl]phenoxy]-4-methylhex-4-enoic acid
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
C\C(CCC(O)=O)=C/COc1ccccc1Cc1c(C)nnn1-c1ccc(cc1)-c1ccco1
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| InChI |
InChI=1S/C27H27N3O4/c1-19(9-14-27(31)32)15-17-34-26-7-4-3-6-22(26)18-24-20(2)28-29-30(24)23-12-10-21(11-13-23)25-8-5-16-33-25/h3-8,10-13,15-16H,9,14,17-18H2,1-2H3,(H,31,32)/b19-15+
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| InChIKey |
UUIVQMMTYKIWMH-XDJHFCHBSA-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