General Information of the Compound
| Compound ID |
CP0536437
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| Compound Name |
(2S)-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
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| Structure |
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| Formula |
C13H19NO5
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| Molecular Weight |
269.297
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| Canonical SMILES |
COc1cc(OC)c(CN[C@@H](C)C(O)=O)c(OC)c1
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| InChI |
InChI=1S/C13H19NO5/c1-8(13(15)16)14-7-10-11(18-3)5-9(17-2)6-12(10)19-4/h5-6,8,14H,7H2,1-4H3,(H,15,16)/t8-/m0/s1
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| InChIKey |
AJFIMJLGRPYGMD-QMMMGPOBSA-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