General Information of the Compound
| Compound ID |
CP0950405
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| Compound Name |
(E)-2-cyano-3-(4-(dipropylamino)phenyl)acrylic acid
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| Structure |
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| Formula |
C16H20N2O2
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| Molecular Weight |
272.348
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| Canonical SMILES |
CCCN(CCC)c1ccc(/C=C(\C#N)C(=O)O)cc1
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| InChI |
InChI=1S/C16H20N2O2/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)11-14(12-17)16(19)20/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20)/b14-11+
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| InChIKey |
YQCVBWWKEILZCJ-SDNWHVSQSA-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