General Information of the Compound
| Compound ID |
CP0498965
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| Compound Name |
(2S,5S,13S,E)-13-amino-N-benzyl-2-(4-hydroxybenzyl)-1-methyl-3,14-dioxo-1,4-diazacyclotetradec-8-ene-5-carboxamide
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| Structure |
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| Formula |
C28H36N4O4
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| Molecular Weight |
492.62
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| Canonical SMILES |
CN1[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC\C=C\CCC[C@H](N)C1=O)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C28H36N4O4/c1-32-25(18-20-14-16-22(33)17-15-20)27(35)31-24(26(34)30-19-21-10-6-5-7-11-21)13-9-4-2-3-8-12-23(29)28(32)36/h2,4-7,10-11,14-17,23-25,33H,3,8-9,12-13,18-19,29H2,1H3,(H,30,34)(H,31,35)/b4-2+/t23-,24-,25-/m0/s1
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| InChIKey |
TUXMJBYUZCTCOD-AKKZCHCBSA-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