General Information of the Compound
| Compound ID |
CP0466223
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| Compound Name |
(2S)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
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| Structure |
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| Formula |
C19H19NO6
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| Molecular Weight |
357.362
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| Canonical SMILES |
COc1cc(\C=C\C(=O)N[C@@H](Cc2ccc(O)cc2)C(O)=O)ccc1O
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| InChI |
InChI=1S/C19H19NO6/c1-26-17-11-13(4-8-16(17)22)5-9-18(23)20-15(19(24)25)10-12-2-6-14(21)7-3-12/h2-9,11,15,21-22H,10H2,1H3,(H,20,23)(H,24,25)/b9-5+/t15-/m0/s1
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| InChIKey |
RWAXPZCUFIKMTQ-BOSPYUDASA-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