General Information of the Compound
| Compound ID |
CP0480661
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| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-amino-4-(4-phenylmethoxyphenyl)butanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C42H41N5O5
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| Molecular Weight |
695.82
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| Canonical SMILES |
N[C@@H](CCc1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C42H41N5O5/c43-35-22-18-31(23-38(35)46-41(49)36(44)21-17-28-15-19-33(20-16-28)51-26-29-9-3-1-4-10-29)40(48)47-39(42(50)52-27-30-11-5-2-6-12-30)24-32-25-45-37-14-8-7-13-34(32)37/h1-16,18-20,22-23,25,36,39,45H,17,21,24,26-27,43-44H2,(H,46,49)(H,47,48)/t36-,39-/m0/s1
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| InChIKey |
IUVPNCMZJKEEOP-VQIIKMDRSA-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