General Information of the Compound
| Compound ID |
CP0856382
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| Compound Name |
(S)-Benzyl 2-(3-Amino-4-((S)-2-amino-4-phenylbutanamido)benzamido)-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C35H35N5O4
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| Molecular Weight |
589.696
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| Canonical SMILES |
Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)ccc1NC(=O)[C@@H](N)CCc1ccccc1
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| InChI |
InChI=1S/C35H35N5O4/c36-28(17-15-23-9-3-1-4-10-23)34(42)39-31-18-16-25(19-29(31)37)33(41)40-32(35(43)44-22-24-11-5-2-6-12-24)20-26-21-38-30-14-8-7-13-27(26)30/h1-14,16,18-19,21,28,32,38H,15,17,20,22,36-37H2,(H,39,42)(H,40,41)/t28-,32-/m0/s1
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| InChIKey |
LIGNPLHIVYWXSV-IUDBTDONSA-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