General Information of the Compound
| Compound ID |
CP0523803
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| Compound Name |
3-Chloro-4-hydroxy-5-{(E)-3-[4-(quinolin-2-ylmethoxy)-phenyl]-acryloyl}-benzoic acid
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| Structure |
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| Formula |
C26H18ClNO5
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| Molecular Weight |
459.885
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| Canonical SMILES |
OC(=O)c1cc(Cl)c(O)c(c1)C(=O)\C=C\c1ccc(OCc2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C26H18ClNO5/c27-22-14-18(26(31)32)13-21(25(22)30)24(29)12-7-16-5-10-20(11-6-16)33-15-19-9-8-17-3-1-2-4-23(17)28-19/h1-14,30H,15H2,(H,31,32)/b12-7+
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| InChIKey |
KRFOTWNULZGQIS-KPKJPENVSA-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