General Information of the Compound
| Compound ID |
CP0426896
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| Compound Name |
benzyl (2S)-2-[[4-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-(1H-indol-3-yl)propanoate
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| Structure |
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| Formula |
C31H34N4O4
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| Molecular Weight |
526.637
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C31H34N4O4/c1-2-3-12-26(32)30(37)34-24-16-14-22(15-17-24)29(36)35-28(31(38)39-20-21-9-5-4-6-10-21)18-23-19-33-27-13-8-7-11-25(23)27/h4-11,13-17,19,26,28,33H,2-3,12,18,20,32H2,1H3,(H,34,37)(H,35,36)/t26-,28-/m0/s1
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| InChIKey |
YNBUILPSIRWOEF-XCZPVHLTSA-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: PT05005, Interleukin-1 receptor antagonist protein