General Information of the Compound
| Compound ID |
CP0274713
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| Compound Name |
2-[4-methoxy-3-[2-[[methoxycarbonyl(2-phenylethyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetic acid
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| Structure |
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| Formula |
C27H26F3NO5
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| Molecular Weight |
501.501
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| Canonical SMILES |
COC(=O)N(CCc1ccccc1)Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3NO5/c1-35-24-11-8-19(15-25(32)33)14-23(24)22-10-9-21(27(28,29)30)16-20(22)17-31(26(34)36-2)13-12-18-6-4-3-5-7-18/h3-11,14,16H,12-13,15,17H2,1-2H3,(H,32,33)
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| InChIKey |
IBQCEFHVBCTAEA-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