General Information of the Compound
| Compound ID |
CP0427630
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| Compound Name |
3-acetamido-5-[2-methyl-5-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C28H23F3N2O4
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| Molecular Weight |
508.496
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| Canonical SMILES |
CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(ccc1OCc1ccccc1)C(F)(F)F)C(O)=O
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| InChI |
InChI=1S/C28H23F3N2O4/c1-17-8-10-25(33(17)23-13-20(27(35)36)12-22(15-23)32-18(2)34)24-14-21(28(29,30)31)9-11-26(24)37-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,32,34)(H,35,36)
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| InChIKey |
YBUIBXQVOIZVAW-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