General Information of the Compound
| Compound ID |
CP0377699
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| Compound Name |
(2S)-2-[[4-[2-[4-(1,3-dioxoisoindol-2-yl)-2-propoxyphenyl]ethyl]phenyl]methyl]butanoic acid
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| Structure |
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| Formula |
C30H31NO5
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| Molecular Weight |
485.58
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| Canonical SMILES |
CCCOc1cc(ccc1CCc1ccc(C[C@H](CC)C(O)=O)cc1)N1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C30H31NO5/c1-3-17-36-27-19-24(31-28(32)25-7-5-6-8-26(25)29(31)33)16-15-23(27)14-13-20-9-11-21(12-10-20)18-22(4-2)30(34)35/h5-12,15-16,19,22H,3-4,13-14,17-18H2,1-2H3,(H,34,35)/t22-/m0/s1
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| InChIKey |
ZPSPDBLGNWMFEX-QFIPXVFZSA-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