General Information of the Compound
| Compound ID |
CP0445950
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| Compound Name |
benzyl (2S)-2-[[4-amino-3-[[(2S)-2-aminohexanoyl]amino]benzoyl]amino]-3-methylbutanoate
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| Structure |
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| Formula |
C25H34N4O4
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| Molecular Weight |
454.571
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| Canonical SMILES |
CCCC[C@H](N)C(=O)Nc1cc(ccc1N)C(=O)N[C@@H](C(C)C)C(=O)OCc1ccccc1
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| InChI |
InChI=1S/C25H34N4O4/c1-4-5-11-20(27)24(31)28-21-14-18(12-13-19(21)26)23(30)29-22(16(2)3)25(32)33-15-17-9-7-6-8-10-17/h6-10,12-14,16,20,22H,4-5,11,15,26-27H2,1-3H3,(H,28,31)(H,29,30)/t20-,22-/m0/s1
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| InChIKey |
WZXNZGDLXXYLLF-UNMCSNQZSA-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