General Information of the Compound
| Compound ID |
CP0865677
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| Compound Name |
(S)-2-(3-Amino-4-((S)-2-amino-3-(4-hydroxyphenyl)-propanamido)benzamido)-3-(1H-indol-3-yl)propanoic Acid
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| Structure |
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| Formula |
C27H27N5O5
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| Molecular Weight |
501.543
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| Canonical SMILES |
Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)ccc1NC(=O)[C@@H](N)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C27H27N5O5/c28-20-12-16(7-10-23(20)31-26(35)21(29)11-15-5-8-18(33)9-6-15)25(34)32-24(27(36)37)13-17-14-30-22-4-2-1-3-19(17)22/h1-10,12,14,21,24,30,33H,11,13,28-29H2,(H,31,35)(H,32,34)(H,36,37)/t21-,24-/m0/s1
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| InChIKey |
FTZXABLXAQZRNN-URXFXBBRSA-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