General Information of the Compound
| Compound ID |
CP0534299
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| Compound Name |
(2E)-2-[[2-[(4-fluorophenyl)methoxy]-5-[[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]methoxy]phenyl]methylidene]butanoic acid
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| Structure |
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| Formula |
C30H25F4NO5
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| Molecular Weight |
555.524
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| Canonical SMILES |
CC\C(=C/c1cc(OCc2ccc3nc(cc(OC)c3c2)C(F)(F)F)ccc1OCc1ccc(F)cc1)C(O)=O
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| InChI |
InChI=1S/C30H25F4NO5/c1-3-20(29(36)37)13-21-14-23(9-11-26(21)40-16-18-4-7-22(31)8-5-18)39-17-19-6-10-25-24(12-19)27(38-2)15-28(35-25)30(32,33)34/h4-15H,3,16-17H2,1-2H3,(H,36,37)/b20-13+
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| InChIKey |
KAQQLWPBBJGGLC-DEDYPNTBSA-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