General Information of the Compound
| Compound ID |
CP0473584
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| Compound Name |
(4S)-5-amino-4-[[(2S)-2-[[[(1R)-1-amino-3-phenylpropyl]-hydroxyphosphoryl]methyl]-4-methylpentanoyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C21H34N3O6P
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| Molecular Weight |
455.492
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| Canonical SMILES |
CC(C)C[C@H](CP(O)(=O)[C@@H](N)CCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O
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| InChI |
InChI=1S/C21H34N3O6P/c1-14(2)12-16(21(28)24-17(20(23)27)9-11-19(25)26)13-31(29,30)18(22)10-8-15-6-4-3-5-7-15/h3-7,14,16-18H,8-13,22H2,1-2H3,(H2,23,27)(H,24,28)(H,25,26)(H,29,30)/t16-,17+,18-/m1/s1
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| InChIKey |
RQHWXFMDLINVRK-FGTMMUONSA-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