General Information of the Compound
| Compound ID |
CP0238375
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| Compound Name |
2-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-4-yl]phenyl]acetic acid
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| Structure |
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| Formula |
C21H21N3O4
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| Molecular Weight |
379.416
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| Canonical SMILES |
C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(CC(O)=O)cc1)c1ccccc1
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| InChI |
InChI=1S/C21H21N3O4/c1-14(16-6-4-3-5-7-16)28-21(27)23-20-18(13-22-24(20)2)17-10-8-15(9-11-17)12-19(25)26/h3-11,13-14H,12H2,1-2H3,(H,23,27)(H,25,26)/t14-/m1/s1
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| InChIKey |
OSXHOBWJSTUHNO-CQSZACIVSA-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: PT03925, Lysophosphatidic acid receptor 1
Protein ID: PT02824, Lysophosphatidic acid receptor 3