General Information of the Compound
| Compound ID |
CP0269786
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| Compound Name |
(S,E)-N-(4-chlorobenzyl)-2-(5,13-dioxo-1-oxa-4-azacyclotridec-8-en-6-yl)acetamide
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| Structure |
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| Formula |
C20H25ClN2O4
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| Molecular Weight |
392.883
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| Canonical SMILES |
Clc1ccc(CNC(=O)C[C@@H]2C\C=C\CCCC(=O)OCCNC2=O)cc1
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| InChI |
InChI=1S/C20H25ClN2O4/c21-17-9-7-15(8-10-17)14-23-18(24)13-16-5-3-1-2-4-6-19(25)27-12-11-22-20(16)26/h1,3,7-10,16H,2,4-6,11-14H2,(H,22,26)(H,23,24)/b3-1+/t16-/m0/s1
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| InChIKey |
XOSBLLGXOWRWPW-VQRJYJFOSA-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