General Information of the Compound
| Compound ID |
CP0493114
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| Compound Name |
5-Bromo-2-hydroxy-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-acryloyl}-benzoic acid
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| Structure |
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| Formula |
C27H18BrNO4
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| Molecular Weight |
500.348
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| Canonical SMILES |
OC(=O)c1cc(Br)cc(C(=O)\C=C\c2cccc(\C=C\c3ccc4ccccc4n3)c2)c1O
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| InChI |
InChI=1S/C27H18BrNO4/c28-20-15-22(26(31)23(16-20)27(32)33)25(30)13-9-18-5-3-4-17(14-18)8-11-21-12-10-19-6-1-2-7-24(19)29-21/h1-16,31H,(H,32,33)/b11-8+,13-9+
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| InChIKey |
FIJKMECDVUAIRF-BLTLMDCKSA-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