General Information of the Compound
| Compound ID |
CP0502888
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| Compound Name |
(2S,5S,12S)-12-amino-N-benzyl-2-(4-hydroxybenzyl)-3,13-dioxo-1,4-diazacyclotridecane-5-carboxamide
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| Structure |
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| Formula |
C26H34N4O4
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| Molecular Weight |
466.582
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| Canonical SMILES |
N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H34N4O4/c27-21-10-6-1-2-7-11-22(25(33)28-17-19-8-4-3-5-9-19)29-26(34)23(30-24(21)32)16-18-12-14-20(31)15-13-18/h3-5,8-9,12-15,21-23,31H,1-2,6-7,10-11,16-17,27H2,(H,28,33)(H,29,34)(H,30,32)/t21-,22-,23-/m0/s1
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| InChIKey |
WESKKZCOSAUWJU-VABKMULXSA-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: PT01820, Aminopeptidase N
Protein ID: PT05116, Leucyl-cystinyl aminopeptidase