General Information of the Compound
| Compound ID |
CP0380009
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| Compound Name |
2-[4-[[2-propyl-5-(1-propylbenzimidazol-2-yl)pyrazolo[1,5-a]pyridin-3-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H32N4O2
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| Molecular Weight |
528.656
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| Canonical SMILES |
CCCc1nn2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1CCC
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| InChI |
InChI=1S/C34H32N4O2/c1-3-9-29-28(21-23-14-16-24(17-15-23)26-10-5-6-11-27(26)34(39)40)32-22-25(18-20-38(32)36-29)33-35-30-12-7-8-13-31(30)37(33)19-4-2/h5-8,10-18,20,22H,3-4,9,19,21H2,1-2H3,(H,39,40)
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| InChIKey |
MQQYKWVMSLKOLR-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