General Information of the Compound
| Compound ID |
CP0418353
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| Compound Name |
(E)-2-cyano-3-[4-(dihexylamino)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C22H32N2O2
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| Molecular Weight |
356.51
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| Canonical SMILES |
CCCCCCN(CCCCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
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| InChI |
InChI=1S/C22H32N2O2/c1-3-5-7-9-15-24(16-10-8-6-4-2)21-13-11-19(12-14-21)17-20(18-23)22(25)26/h11-14,17H,3-10,15-16H2,1-2H3,(H,25,26)/b20-17+
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| InChIKey |
NHKITMWAKQWENA-LVZFUZTISA-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