General Information of the Compound
| Compound ID |
CP0168572
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| Compound Name |
2-[3-[2-[[cyclopropyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
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| Structure |
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| Formula |
C28H26F3NO5
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| Molecular Weight |
513.512
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| Canonical SMILES |
COc1ccc(CC(O)=O)cc1-c1ccc(cc1CN(C1CC1)C(=O)OCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3NO5/c1-36-25-12-7-19(14-26(33)34)13-24(25)23-11-8-21(28(29,30)31)15-20(23)16-32(22-9-10-22)27(35)37-17-18-5-3-2-4-6-18/h2-8,11-13,15,22H,9-10,14,16-17H2,1H3,(H,33,34)
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| InChIKey |
SLFGXMKUSRPNKI-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