General Information of the Compound
| Compound ID |
CP0130403
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| Compound Name |
2-[3-chloro-4-[3-[(3-phenyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propylsulfanyl]phenyl]acetic acid
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| Structure |
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| Formula |
C27H26ClNO4S
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| Molecular Weight |
496.028
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| Canonical SMILES |
CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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| InChIKey |
NVVUNCYOVFKRLC-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma