General Information of the Compound
| Compound ID |
CP0087279
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| Compound Name |
(S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
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| Synonyms |
(S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
2,6-Dimethyl-L-Tyr-L-Tic-OH
BDBM50299565
CHEMBL571492
H-2'',6''-dimethyltyrosine-Tic-OH
H-2',6'-dimethyltyrosine-Tic-OH
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| Structure |
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| Formula |
C21H24N2O4
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| Molecular Weight |
368.433
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| Canonical SMILES |
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O
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| InChI |
InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
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| InChIKey |
QBLVXTMPLLWZDE-OALUTQOASA-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
Clinical Information about the Compound