General Information of the Compound
| Compound ID |
CP0437799
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| Compound Name |
2-[4-[[5-(1-phenylpropylcarbamoyl)-2-propyl-1H-indol-3-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C35H34N2O3
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| Molecular Weight |
530.668
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| Canonical SMILES |
CCCc1[nH]c2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
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| InChI |
InChI=1S/C35H34N2O3/c1-3-10-32-29(21-23-15-17-24(18-16-23)27-13-8-9-14-28(27)35(39)40)30-22-26(19-20-33(30)36-32)34(38)37-31(4-2)25-11-6-5-7-12-25/h5-9,11-20,22,31,36H,3-4,10,21H2,1-2H3,(H,37,38)(H,39,40)
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| InChIKey |
HQQXSUYKGASMSB-UHFFFAOYSA-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: PT01919, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01197, Type-1 angiotensin II receptor