General Information of the Compound
| Compound ID |
CP0380010
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| Compound Name |
2-[4-[[5-(1-butylbenzimidazol-2-yl)-2-propylindazol-3-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C35H34N4O2
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| Molecular Weight |
542.683
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| Canonical SMILES |
CCCCn1c(nc2ccccc12)-c1ccc2nn(CCC)c(Cc3ccc(cc3)-c3ccccc3C(O)=O)c2c1
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| InChI |
InChI=1S/C35H34N4O2/c1-3-5-21-38-32-13-9-8-12-31(32)36-34(38)26-18-19-30-29(23-26)33(39(37-30)20-4-2)22-24-14-16-25(17-15-24)27-10-6-7-11-28(27)35(40)41/h6-19,23H,3-5,20-22H2,1-2H3,(H,40,41)
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| InChIKey |
GNXIZFQKYVDFSR-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: PT03063, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02973, Peroxisome proliferator-activated receptor gamma
Protein ID: PT01197, Type-1 angiotensin II receptor