General Information of the Compound
| Compound ID |
CP0473582
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| Compound Name |
[(2S)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-methylpentyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C22H38N3O4P
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| Molecular Weight |
439.537
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| Canonical SMILES |
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O
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| InChI |
InChI=1S/C22H38N3O4P/c1-15(2)12-18(22(27)25-19(21(24)26)13-16(3)4)14-30(28,29)20(23)11-10-17-8-6-5-7-9-17/h5-9,15-16,18-20H,10-14,23H2,1-4H3,(H2,24,26)(H,25,27)(H,28,29)/t18-,19+,20-/m1/s1
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| InChIKey |
AATVMVZMTDKRJI-HSALFYBXSA-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