General Information of the Compound
| Compound ID |
CP0511340
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| Compound Name |
(2S,5S,12S,Z)-12-amino-N,2-dibenzyl-3,13-dioxo-1,4-diazacyclotridec-8-ene-5-carboxamide
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| Structure |
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| Formula |
C26H32N4O3
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| Molecular Weight |
448.567
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| Canonical SMILES |
N[C@H]1CC\C=C/CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H32N4O3/c27-21-15-9-1-2-10-16-22(25(32)28-18-20-13-7-4-8-14-20)29-26(33)23(30-24(21)31)17-19-11-5-3-6-12-19/h1-8,11-14,21-23H,9-10,15-18,27H2,(H,28,32)(H,29,33)(H,30,31)/b2-1-/t21-,22-,23-/m0/s1
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| InChIKey |
SFSFKMJTPVEWAE-BJFNZQINSA-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