General Information of the Compound
| Compound ID |
CP0507638
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| Compound Name |
4-Butoxy-3-{(E)-3-[3-(quinolin-2-ylmethoxy)-phenyl]-acryloyl}-benzoic acid
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| Structure |
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| Formula |
C30H27NO5
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| Molecular Weight |
481.548
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| Canonical SMILES |
CCCCOc1ccc(cc1C(=O)\C=C\c1cccc(OCc2ccc3ccccc3n2)c1)C(O)=O
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| InChI |
InChI=1S/C30H27NO5/c1-2-3-17-35-29-16-13-23(30(33)34)19-26(29)28(32)15-11-21-7-6-9-25(18-21)36-20-24-14-12-22-8-4-5-10-27(22)31-24/h4-16,18-19H,2-3,17,20H2,1H3,(H,33,34)/b15-11+
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| InChIKey |
WEWBWUMLTYFQDQ-RVDMUPIBSA-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