General Information of the Compound
| Compound ID |
CP0473581
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| Compound Name |
[(2S)-3-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-[[3,5-bis(3-chlorophenyl)phenyl]methyl]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C37H42Cl2N3O4P
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| Molecular Weight |
694.64
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1cc(cc(c1)-c1cccc(Cl)c1)-c1cccc(Cl)c1)CP(O)(=O)[C@@H](N)CCc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C37H42Cl2N3O4P/c1-24(2)16-34(36(41)43)42-37(44)31(23-47(45,46)35(40)15-14-25-8-4-3-5-9-25)19-26-17-29(27-10-6-12-32(38)21-27)20-30(18-26)28-11-7-13-33(39)22-28/h3-13,17-18,20-22,24,31,34-35H,14-16,19,23,40H2,1-2H3,(H2,41,43)(H,42,44)(H,45,46)/t31-,34+,35-/m1/s1
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| InChIKey |
OZHIFGOMORPPQM-ZCLHRBOTSA-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