General Information of the Compound
| Compound ID |
CP0861056
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| Compound Name |
(E)-2-cyano-3-(4-(dibutylamino)phenyl)acrylic acid
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| Structure |
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| Formula |
C18H24N2O2
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| Molecular Weight |
300.402
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| Canonical SMILES |
CCCCN(CCCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
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| InChI |
InChI=1S/C18H24N2O2/c1-3-5-11-20(12-6-4-2)17-9-7-15(8-10-17)13-16(14-19)18(21)22/h7-10,13H,3-6,11-12H2,1-2H3,(H,21,22)/b16-13+
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| InChIKey |
KPYVKQIDGBUMCJ-DTQAZKPQSA-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