General Information of the Compound
| Compound ID |
CP0485412
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| Compound Name |
3-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]-4-methoxybenzoic acid
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| Structure |
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| Formula |
C26H22ClNO4
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| Molecular Weight |
447.918
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| Canonical SMILES |
COc1ccc(cc1-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C26H22ClNO4/c1-17-8-11-22(28(17)23-14-19(26(29)30)9-12-25(23)31-2)21-15-20(27)10-13-24(21)32-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3,(H,29,30)
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| InChIKey |
IDECFVWSTAXUAF-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