General Information of the Compound
| Compound ID |
CP0462847
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| Compound Name |
N-[(4-chlorophenyl)methyl]-2-[(2R,3R,6S,8E)-3-methyl-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-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 |
C[C@H]1NC(=O)[C@H](CC(=O)NCc2ccc(Cl)cc2)C\C=C\CCC(=O)O[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C26H29ClN2O4/c1-18-25(20-8-4-2-5-9-20)33-24(31)11-7-3-6-10-21(26(32)29-18)16-23(30)28-17-19-12-14-22(27)15-13-19/h2-6,8-9,12-15,18,21,25H,7,10-11,16-17H2,1H3,(H,28,30)(H,29,32)/b6-3+/t18-,21+,25+/m1/s1
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| InChIKey |
VKORJMZWMJAINW-WPQRWQNRSA-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