General Information of the Compound
| Compound ID |
CP0545333
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| Compound Name |
5-Chloro-2-hydroxy-3-{(E)-3-[3-(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)cc(C(=O)\C=C\c2cccc(OCc3ccc4ccccc4n3)c2)c1O
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| InChI |
InChI=1S/C26H18ClNO5/c27-18-13-21(25(30)22(14-18)26(31)32)24(29)11-8-16-4-3-6-20(12-16)33-15-19-10-9-17-5-1-2-7-23(17)28-19/h1-14,30H,15H2,(H,31,32)/b11-8+
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| InChIKey |
UKKDVBPLHLWOJP-DHZHZOJOSA-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