General Information of the Compound
| Compound ID |
CP0453812
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| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]benzoyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C28H32N4O5
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| Molecular Weight |
504.587
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)c1)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C28H32N4O5/c1-17(2)25(28(36)37-16-19-6-4-3-5-7-19)32-26(34)20-10-13-22(29)24(15-20)31-27(35)23(30)14-18-8-11-21(33)12-9-18/h3-13,15,17,23,25,33H,14,16,29-30H2,1-2H3,(H,31,35)(H,32,34)/t23-,25-/m0/s1
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| InChIKey |
BQXMBJJJTZTRFJ-ZCYQVOJMSA-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