General Information of the Compound
| Compound ID |
CP0519379
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| Compound Name |
4-Hydroxy-3-{(E)-3-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-acryloyl}-benzonitrile
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| Structure |
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| Formula |
C27H18N2O2
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| Molecular Weight |
402.453
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| Canonical SMILES |
Oc1ccc(cc1C(=O)\C=C\c1cccc(\C=C\c2ccc3ccccc3n2)c1)C#N
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| InChI |
InChI=1S/C27H18N2O2/c28-18-21-10-15-27(31)24(17-21)26(30)14-9-20-5-3-4-19(16-20)8-12-23-13-11-22-6-1-2-7-25(22)29-23/h1-17,31H/b12-8+,14-9+
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| InChIKey |
RHGRRGBOSFJRBE-MXOVAJDFSA-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