General Information of the Compound
| Compound ID |
CP0472467
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| Compound Name |
3-(4-((5-(4-(methylsulfonyl)phenyl)-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamido)propanoic acid
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| Structure |
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| Formula |
C28H24F3N3O6S
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| Molecular Weight |
587.576
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCCC(O)=O)-c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C28H24F3N3O6S/c1-41(38,39)23-12-8-20(9-13-23)25-16-24(19-6-10-22(11-7-19)40-28(29,30)31)33-34(25)17-18-2-4-21(5-3-18)27(37)32-15-14-26(35)36/h2-13,16H,14-15,17H2,1H3,(H,32,37)(H,35,36)
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| InChIKey |
JLDQIPQTHIWMDE-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