General Information of the Compound
| Compound ID |
CP0562587
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| Compound Name |
3-bromo-5-[2-(5-chloro-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]benzoic acid
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| Structure |
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| Formula |
C25H19BrClNO3
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| Molecular Weight |
496.788
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| Canonical SMILES |
Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(Br)cc(c1)C(O)=O
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| InChI |
InChI=1S/C25H19BrClNO3/c1-16-7-9-23(28(16)21-12-18(25(29)30)11-19(26)13-21)22-14-20(27)8-10-24(22)31-15-17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,29,30)
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| InChIKey |
UKVIVIFRDGRRMC-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