General Information of the Compound
| Compound ID |
CP0395699
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| Compound Name |
(2S)-3-hydroxy-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
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| Structure |
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| Formula |
C13H19NO6
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| Molecular Weight |
285.296
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| Canonical SMILES |
COc1cc(OC)c(CN[C@@H](CO)C(O)=O)c(OC)c1
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| InChI |
InChI=1S/C13H19NO6/c1-18-8-4-11(19-2)9(12(5-8)20-3)6-14-10(7-15)13(16)17/h4-5,10,14-15H,6-7H2,1-3H3,(H,16,17)/t10-/m0/s1
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| InChIKey |
NMZHCXSFHMFKNQ-JTQLQIEISA-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