General Information of the Compound
| Compound ID |
CP0458116
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| Compound Name |
(2S)-2-[(2,4,6-trimethoxyphenyl)methylamino]pentanedioic acid
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| Structure |
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| Formula |
C15H21NO7
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| Molecular Weight |
327.333
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| Canonical SMILES |
COc1cc(OC)c(CN[C@@H](CCC(O)=O)C(O)=O)c(OC)c1
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| InChI |
InChI=1S/C15H21NO7/c1-21-9-6-12(22-2)10(13(7-9)23-3)8-16-11(15(19)20)4-5-14(17)18/h6-7,11,16H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)/t11-/m0/s1
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| InChIKey |
ROIIFEYDGXSDTI-NSHDSACASA-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