General Information of the Compound
| Compound ID |
CP0473679
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| Compound Name |
methyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C27H30N4O5
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| Molecular Weight |
490.56
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(N)c(NC(=O)[C@@H](N)CCc2ccccc2)c1
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| InChI |
InChI=1S/C27H30N4O5/c1-36-27(35)24(15-18-7-11-20(32)12-8-18)31-25(33)19-10-14-21(28)23(16-19)30-26(34)22(29)13-9-17-5-3-2-4-6-17/h2-8,10-12,14,16,22,24,32H,9,13,15,28-29H2,1H3,(H,30,34)(H,31,33)/t22-,24-/m0/s1
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| InChIKey |
ASZXUJWASJMAAI-UPVQGACJSA-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: PT04212, Endoplasmic reticulum aminopeptidase 1
Protein ID: PT01964, Endoplasmic reticulum aminopeptidase 2
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase