General Information of the Compound
| Compound ID |
CP0449986
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| Compound Name |
methyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C26H28N4O6
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| Molecular Weight |
492.532
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1
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| InChI |
InChI=1S/C26H28N4O6/c1-36-26(35)23(13-16-4-9-19(32)10-5-16)30-24(33)17-6-11-20(27)22(14-17)29-25(34)21(28)12-15-2-7-18(31)8-3-15/h2-11,14,21,23,31-32H,12-13,27-28H2,1H3,(H,29,34)(H,30,33)/t21-,23-/m0/s1
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| InChIKey |
MIESQMOIXPQTAY-GMAHTHKFSA-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: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase