General Information of the Compound
| Compound ID |
CP0395515
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| Compound Name |
methyl (2S)-2-[[3-amino-4-[[(2S)-2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]benzoyl]amino]-3-(4-hydroxyphenyl)propanoate
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| Structure |
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| Formula |
C33H34N4O6
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| Molecular Weight |
582.657
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| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NC(=O)[C@@H](N)Cc2ccc(OCc3ccccc3)cc2)c(N)c1
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| InChI |
InChI=1S/C33H34N4O6/c1-42-33(41)30(18-22-7-12-25(38)13-8-22)37-31(39)24-11-16-29(27(34)19-24)36-32(40)28(35)17-21-9-14-26(15-10-21)43-20-23-5-3-2-4-6-23/h2-16,19,28,30,38H,17-18,20,34-35H2,1H3,(H,36,40)(H,37,39)/t28-,30-/m0/s1
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| InChIKey |
AMTOLSBBIWXARE-JDXGNMNLSA-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