General Information of the Compound
| Compound ID |
CP0441392
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| Compound Name |
2-(2-(((2S,5S,12S)-12-amino-2-(4-hydroxybenzyl)-3,13-dioxo-1,4-diazacyclotridecane-5-carboxamido)methyl)phenyl)acetic acid
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| Structure |
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| Formula |
C28H36N4O6
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| Molecular Weight |
524.618
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| Canonical SMILES |
N[C@H]1CCCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)NCc1ccccc1CC(O)=O
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| InChI |
InChI=1S/C28H36N4O6/c29-22-9-3-1-2-4-10-23(27(37)30-17-20-8-6-5-7-19(20)16-25(34)35)31-28(38)24(32-26(22)36)15-18-11-13-21(33)14-12-18/h5-8,11-14,22-24,33H,1-4,9-10,15-17,29H2,(H,30,37)(H,31,38)(H,32,36)(H,34,35)/t22-,23-,24-/m0/s1
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| InChIKey |
QYFCXOPXINLRHA-HJOGWXRNSA-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