General Information of the Compound
| Compound ID |
CP0294636
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-5,13-dioxo-2-phenyl-1-oxa-4-azacyclotridec-8-en-6-yl]acetamide
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| Structure |
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| Formula |
C26H29ClN2O4
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| Molecular Weight |
468.981
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)O[C@@H](CNC2=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C26H29ClN2O4/c27-22-14-12-19(13-15-22)17-28-24(30)16-21-10-4-1-2-7-11-25(31)33-23(18-29-26(21)32)20-8-5-3-6-9-20/h1,3-6,8-9,12-15,21,23H,2,7,10-11,16-18H2,(H,28,30)(H,29,32)/b4-1+/t21-,23-/m0/s1
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| InChIKey |
VJOZJBFMGBVMBJ-WYYVUSADSA-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