General Information of the Compound
| Compound ID |
CP0439991
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| Compound Name |
3-[(3S)-3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]piperidin-1-yl]benzoic acid
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| Structure |
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| Formula |
C23H23N3O3S
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| Molecular Weight |
421.522
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| Canonical SMILES |
Cc1nc(sc1C(=O)N[C@H]1CCCN(C1)c1cccc(c1)C(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C23H23N3O3S/c1-15-20(30-22(24-15)16-7-3-2-4-8-16)21(27)25-18-10-6-12-26(14-18)19-11-5-9-17(13-19)23(28)29/h2-5,7-9,11,13,18H,6,10,12,14H2,1H3,(H,25,27)(H,28,29)/t18-/m0/s1
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| InChIKey |
XIPHUDHACZTKJC-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