General Information of the Compound
| Compound ID |
CP0543512
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| Compound Name |
(E)-2-(cyclopropylmethyl)-3-[2-[(4-fluorophenyl)methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C32H27F4NO5
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| Molecular Weight |
581.562
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| Canonical SMILES |
COc1cc(nc2ccc(COc3ccc(OCc4ccc(F)cc4)c(\C=C(/CC4CC4)C(O)=O)c3)cc12)C(F)(F)F
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| InChI |
InChI=1S/C32H27F4NO5/c1-40-29-16-30(32(34,35)36)37-27-10-6-21(13-26(27)29)18-41-25-9-11-28(42-17-20-4-7-24(33)8-5-20)22(15-25)14-23(31(38)39)12-19-2-3-19/h4-11,13-16,19H,2-3,12,17-18H2,1H3,(H,38,39)/b23-14+
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| InChIKey |
ANCKLXCUCJSKHW-OEAKJJBVSA-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