General Information of the Compound
| Compound ID |
CP0509365
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| Compound Name |
3-[2-(5-bromo-2-phenylmethoxyphenyl)-5-methylpyrrol-1-yl]naphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C29H22BrNO3
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| Molecular Weight |
512.403
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| Canonical SMILES |
Cc1ccc(-c2cc(Br)ccc2OCc2ccccc2)n1-c1cc(C(O)=O)c2ccccc2c1
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| InChI |
InChI=1S/C29H22BrNO3/c1-19-11-13-27(26-16-22(30)12-14-28(26)34-18-20-7-3-2-4-8-20)31(19)23-15-21-9-5-6-10-24(21)25(17-23)29(32)33/h2-17H,18H2,1H3,(H,32,33)
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| InChIKey |
KETKAKCIHMQVBV-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