General Information of the Compound
| Compound ID |
CP0684691
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| Compound Name |
3-(1-(2-(benzyloxy)-5-chlorophenyl)-5-methyl-1H-pyrrol-2-yl)benzoic acid
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| Structure |
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| Formula |
C25H20ClNO3
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| Molecular Weight |
417.892
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| Canonical SMILES |
Cc1ccc(-c2cccc(C(=O)O)c2)n1-c1cc(Cl)ccc1OCc1ccccc1
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| InChI |
InChI=1S/C25H20ClNO3/c1-17-10-12-22(19-8-5-9-20(14-19)25(28)29)27(17)23-15-21(26)11-13-24(23)30-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,28,29)
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| InChIKey |
REDVMSVSZWHGSE-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