General Information of the Compound
| Compound ID |
CP0155787
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| Compound Name |
2-[3-[2-[[(3,5-dichlorophenyl)methoxycarbonyl-ethylamino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C27H24Cl2F3NO5
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| Molecular Weight |
570.391
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cc(CC(O)=O)ccc1OC)C(F)(F)F)C(=O)OCc1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C27H24Cl2F3NO5/c1-3-33(26(36)38-15-17-8-20(28)13-21(29)9-17)14-18-12-19(27(30,31)32)5-6-22(18)23-10-16(11-25(34)35)4-7-24(23)37-2/h4-10,12-13H,3,11,14-15H2,1-2H3,(H,34,35)
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| InChIKey |
TYUSYDPHZJTEEU-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