General Information of the Compound
| Compound ID |
CP0558525
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| Compound Name |
(2E)-2-[[2-[(1-methylpiperidin-4-yl)methoxy]-5-(quinolin-6-ylmethoxy)phenyl]methylidene]pentanoic acid
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| Structure |
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| Formula |
C29H34N2O4
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| Molecular Weight |
474.601
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| Canonical SMILES |
CCC\C(=C/c1cc(OCc2ccc3ncccc3c2)ccc1OCC1CCN(C)CC1)C(O)=O
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| InChI |
InChI=1S/C29H34N2O4/c1-3-5-24(29(32)33)17-25-18-26(8-10-28(25)35-19-21-11-14-31(2)15-12-21)34-20-22-7-9-27-23(16-22)6-4-13-30-27/h4,6-10,13,16-18,21H,3,5,11-12,14-15,19-20H2,1-2H3,(H,32,33)/b24-17+
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| InChIKey |
OABIFIWWURXREK-JJIBRWJFSA-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