General Information of the Compound
| Compound ID |
CP0401287
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| Compound Name |
2-[[3-[[4-(4,5-difluoro-2-methoxyphenyl)phenoxy]methyl]benzoyl]-methylamino]acetic acid
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| Structure |
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| Formula |
C24H21F2NO5
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| Molecular Weight |
441.43
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| Canonical SMILES |
COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N(C)CC(O)=O)cc1
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| InChI |
InChI=1S/C24H21F2NO5/c1-27(13-23(28)29)24(30)17-5-3-4-15(10-17)14-32-18-8-6-16(7-9-18)19-11-20(25)21(26)12-22(19)31-2/h3-12H,13-14H2,1-2H3,(H,28,29)
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| InChIKey |
AZXJXLJQZPZJPC-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