General Information of the Compound
| Compound ID |
CP0883490
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| Compound Name |
(S)-Benzyl 2-(4-Amino-3-((S)-2-amino-3-(4-hydroxyphenyl)-propanamido)benzamido)-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C34H33N5O5
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| Molecular Weight |
591.668
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| Canonical SMILES |
Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1NC(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C34H33N5O5/c35-27-15-12-23(17-30(27)38-33(42)28(36)16-21-10-13-25(40)14-11-21)32(41)39-31(34(43)44-20-22-6-2-1-3-7-22)18-24-19-37-29-9-5-4-8-26(24)29/h1-15,17,19,28,31,37,40H,16,18,20,35-36H2,(H,38,42)(H,39,41)/t28-,31-/m0/s1
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| InChIKey |
AGXGPEHLCQUKNN-IZEXYCQBSA-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