General Information of the Compound
| Compound ID |
CP0439993
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| Compound Name |
3-[(3S)-3-[[2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C24H25N3O4S
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| Molecular Weight |
451.548
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(C)c(s1)C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C24H25N3O4S/c1-15-21(32-23(25-15)16-8-10-20(31-2)11-9-16)22(28)26-18-6-4-12-27(14-18)19-7-3-5-17(13-19)24(29)30/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3,(H,26,28)(H,29,30)/t18-/m0/s1
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| InChIKey |
DQMRQCMKXUDKJF-SFHVURJKSA-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