General Information of the Compound
| Compound ID |
CP0427634
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| Compound Name |
3-acetamido-5-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C27H23ClN2O4
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| Molecular Weight |
474.944
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| Canonical SMILES |
CC(=O)Nc1cc(cc(c1)-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C27H23ClN2O4/c1-17-8-10-25(30(17)23-13-20(27(32)33)12-22(15-23)29-18(2)31)24-14-21(28)9-11-26(24)34-16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,29,31)(H,32,33)
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| InChIKey |
STRIVCZQEHZQMW-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