General Information of the Compound
| Compound ID |
CP0455203
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(3R,6S,8E,11S)-6-methyl-5,12-dioxo-3-phenyl-1-oxa-4-azacyclododec-8-en-11-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 |
C[C@H]1C\C=C\C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)OC[C@H](NC1=O)c1ccccc1
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| InChI |
InChI=1S/C26H29ClN2O4/c1-18-7-5-6-10-21(15-24(30)28-16-19-11-13-22(27)14-12-19)26(32)33-17-23(29-25(18)31)20-8-3-2-4-9-20/h2-6,8-9,11-14,18,21,23H,7,10,15-17H2,1H3,(H,28,30)(H,29,31)/b6-5+/t18-,21-,23-/m0/s1
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| InChIKey |
ZYUUFTRHRLWMTH-AGDMFGCGSA-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