General Information of the Compound
| Compound ID |
CP0530957
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| Compound Name |
(2S)-2-[(2,4,6-trimethoxyphenyl)methylamino]butanedioic acid
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| Structure |
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| Formula |
C14H19NO7
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| Molecular Weight |
313.306
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| Canonical SMILES |
COc1cc(OC)c(CN[C@@H](CC(O)=O)C(O)=O)c(OC)c1
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| InChI |
InChI=1S/C14H19NO7/c1-20-8-4-11(21-2)9(12(5-8)22-3)7-15-10(14(18)19)6-13(16)17/h4-5,10,15H,6-7H2,1-3H3,(H,16,17)(H,18,19)/t10-/m0/s1
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| InChIKey |
NTRBVPZOYSLWDP-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