General Information of the Compound
| Compound ID |
CP0919618
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| Compound Name |
(E)-2-cyano-3-(4-(diallylamino)-2-methoxyphenyl)acrylic acid
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| Structure |
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| Formula |
C17H18N2O3
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| Molecular Weight |
298.342
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| Canonical SMILES |
C=CCN(CC=C)c1ccc(/C=C(\C#N)C(=O)O)c(OC)c1
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| InChI |
InChI=1S/C17H18N2O3/c1-4-8-19(9-5-2)15-7-6-13(16(11-15)22-3)10-14(12-18)17(20)21/h4-7,10-11H,1-2,8-9H2,3H3,(H,20,21)/b14-10+
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| InChIKey |
YBZMATKXBMEIAT-GXDHUFHOSA-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