General Information of the Compound
| Compound ID |
CP0473586
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| Compound Name |
[(2R)-3-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-[(3,5-diphenylphenyl)methyl]-3-oxopropyl]-[(1R)-1-amino-3-phenylpropyl]phosphinic acid
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| Structure |
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| Formula |
C40H42N3O4P
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| Molecular Weight |
659.767
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| Canonical SMILES |
N[C@@H](CCc1ccccc1)P(O)(=O)C[C@H](Cc1cc(cc(c1)-c1ccccc1)-c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C40H42N3O4P/c41-38(22-21-29-13-5-1-6-14-29)48(46,47)28-36(40(45)43-37(39(42)44)26-30-15-7-2-8-16-30)25-31-23-34(32-17-9-3-10-18-32)27-35(24-31)33-19-11-4-12-20-33/h1-20,23-24,27,36-38H,21-22,25-26,28,41H2,(H2,42,44)(H,43,45)(H,46,47)/t36-,37-,38+/m0/s1
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| InChIKey |
KAKJFMITKIMUAY-XEZIGOATSA-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