General Information of the Compound
| Compound ID |
CP0485041
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| Compound Name |
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-4-ethoxybenzoic acid
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| Structure |
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| Formula |
C27H24ClNO4
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| Molecular Weight |
461.945
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| Canonical SMILES |
CCOc1ccc(cc1-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C27H24ClNO4/c1-3-32-26-13-10-20(27(30)31)15-24(26)29-18(2)9-12-23(29)22-16-21(28)11-14-25(22)33-17-19-7-5-4-6-8-19/h4-16H,3,17H2,1-2H3,(H,30,31)
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| InChIKey |
FLACNBHIDLYXTK-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