General Information of the Compound
| Compound ID |
CP0406145
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| Compound Name |
(E)-2-cyano-3-[4-(dipentylamino)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C20H28N2O2
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| Molecular Weight |
328.456
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| Canonical SMILES |
CCCCCN(CCCCC)c1ccc(\C=C(/C#N)C(O)=O)cc1
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| InChI |
InChI=1S/C20H28N2O2/c1-3-5-7-13-22(14-8-6-4-2)19-11-9-17(10-12-19)15-18(16-21)20(23)24/h9-12,15H,3-8,13-14H2,1-2H3,(H,23,24)/b18-15+
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| InChIKey |
WRMVQBCCLSJRCQ-OBGWFSINSA-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