General Information of the Compound
| Compound ID |
CP0430042
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| Compound Name |
2-[4-[[5-(1-phenylpropylcarbamoyl)-2-propylindazol-3-yl]methyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C34H33N3O3
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| Molecular Weight |
531.656
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| Canonical SMILES |
CCCn1nc2ccc(cc2c1Cc1ccc(cc1)-c1ccccc1C(O)=O)C(=O)NC(CC)c1ccccc1
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| InChI |
InChI=1S/C34H33N3O3/c1-3-20-37-32(21-23-14-16-24(17-15-23)27-12-8-9-13-28(27)34(39)40)29-22-26(18-19-31(29)36-37)33(38)35-30(4-2)25-10-6-5-7-11-25/h5-19,22,30H,3-4,20-21H2,1-2H3,(H,35,38)(H,39,40)
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| InChIKey |
HXPLAMBXLGASEL-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