General Information of the Compound
| Compound ID |
CP0524936
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| Compound Name |
(E)-3-[2-[(E)-3-[4-(2-aminoethoxy)-3-methoxyphenyl]prop-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
COc1cc(C\C=C\c2ccccc2\C=C\C(O)=O)ccc1OCCN
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| InChI |
InChI=1S/C21H23NO4/c1-25-20-15-16(9-11-19(20)26-14-13-22)5-4-8-17-6-2-3-7-18(17)10-12-21(23)24/h2-4,6-12,15H,5,13-14,22H2,1H3,(H,23,24)/b8-4+,12-10+
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| InChIKey |
XPPKVTJXPOVBAM-URFQIUESSA-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