General Information of the Compound
| Compound ID |
CP0538815
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| Compound Name |
[(1R)-1-amino-3-phenylpropyl]-[(2S)-2-[(2S)-2-carbamoylpyrrolidine-1-carbonyl]-4-methylpentyl]phosphinic acid
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| Structure |
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| Formula |
C21H34N3O4P
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| Molecular Weight |
423.494
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| Canonical SMILES |
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
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| InChI |
InChI=1S/C21H34N3O4P/c1-15(2)13-17(21(26)24-12-6-9-18(24)20(23)25)14-29(27,28)19(22)11-10-16-7-4-3-5-8-16/h3-5,7-8,15,17-19H,6,9-14,22H2,1-2H3,(H2,23,25)(H,27,28)/t17-,18+,19-/m1/s1
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| InChIKey |
NJCHEVDWMWFDNQ-CEXWTWQISA-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