General Information of the Compound
| Compound ID |
CP0071950
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| Compound Name |
(S)-2-amino-3-(1-methyl-1H-indol-3-yl)propanoic acid
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| Synonyms |
1-L-MT
1-LMT
1-methyl-L-tryptophan
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| Structure |
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| Formula |
C12H14N2O2
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| Molecular Weight |
218.256
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| Canonical SMILES |
Cn1cc(C[C@H](N)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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| InChIKey |
ZADWXFSZEAPBJS-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
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT03341, Indoleamine 2,3-dioxygenase 2
Clinical Information about the Compound