General Information of the Compound
| Compound ID |
CP0408489
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| Compound Name |
(3S)-6-[2-[[[4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C26H29NO5
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| Molecular Weight |
435.52
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| Canonical SMILES |
C[C@@H](CCCOc1ccccc1CN(C)C(=O)c1ccc(cc1)-c1ccco1)CC(O)=O
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| InChI |
InChI=1S/C26H29NO5/c1-19(17-25(28)29)7-5-15-32-24-9-4-3-8-22(24)18-27(2)26(30)21-13-11-20(12-14-21)23-10-6-16-31-23/h3-4,6,8-14,16,19H,5,7,15,17-18H2,1-2H3,(H,28,29)/t19-/m0/s1
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| InChIKey |
NOHPKKZHDRVOAF-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: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma