General Information of the Compound
| Compound ID |
CP0534737
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| Compound Name |
[(2S)-2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-methylpentyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C25H36N3O4P
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| Molecular Weight |
473.554
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| Canonical SMILES |
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C25H36N3O4P/c1-18(2)15-21(17-33(31,32)23(26)14-13-19-9-5-3-6-10-19)25(30)28-22(24(27)29)16-20-11-7-4-8-12-20/h3-12,18,21-23H,13-17,26H2,1-2H3,(H2,27,29)(H,28,30)(H,31,32)/t21-,22-,23-/m1/s1
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| InChIKey |
BUDSAEMPVYFKML-DNVJHFABSA-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