General Information of the Compound
| Compound ID |
CP0381128
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-5,12-dioxo-3-propan-2-yl-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
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| Structure |
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| Formula |
C22H29ClN2O4
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| Molecular Weight |
420.937
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| Canonical SMILES |
CC(C)[C@@H]1COC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)N1
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| InChI |
InChI=1S/C22H29ClN2O4/c1-15(2)19-14-29-22(28)17(6-4-3-5-7-20(26)25-19)12-21(27)24-13-16-8-10-18(23)11-9-16/h3-4,8-11,15,17,19H,5-7,12-14H2,1-2H3,(H,24,27)(H,25,26)/b4-3+/t17-,19-/m0/s1
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| InChIKey |
YODBUVJRLLERQB-PABLAQFASA-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