General Information of the Compound
| Compound ID |
CP0458634
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| Compound Name |
[(2S)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C31H34ClN4O5P
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| Molecular Weight |
609.063
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| Canonical SMILES |
N[C@@H](CCc1ccccc1)P(O)(=O)C[C@@H](Cc1cc(no1)-c1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C31H34ClN4O5P/c32-25-14-12-23(13-15-25)27-19-26(41-36-27)18-24(20-42(39,40)29(33)16-11-21-7-3-1-4-8-21)31(38)35-28(30(34)37)17-22-9-5-2-6-10-22/h1-10,12-15,19,24,28-29H,11,16-18,20,33H2,(H2,34,37)(H,35,38)(H,39,40)/t24-,28+,29-/m1/s1
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| InChIKey |
ASBAZJSDHGVMRZ-OFQAEJFBSA-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