General Information of the Compound
| Compound ID |
CP0155783
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| Compound Name |
2-[3-[2-[[cyclobutyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C29H28F3NO5
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| Molecular Weight |
527.539
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CCC1)C(=O)OCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C29H28F3NO5/c1-37-26-13-10-20(15-27(34)35)14-25(26)24-12-11-22(29(30,31)32)16-21(24)17-33(23-8-5-9-23)28(36)38-18-19-6-3-2-4-7-19/h2-4,6-7,10-14,16,23H,5,8-9,15,17-18H2,1H3,(H,34,35)
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| InChIKey |
JBIYMJVQXSFADE-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