General Information of the Compound
| Compound ID |
CP0515026
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| Compound Name |
2-(16-Chloro-17,19-dihydroxy-4-methyl-2-oxo-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaen-13-ylideneaminooxy)-N-(4-methoxy-phenyl)-acetamide
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| Structure |
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| Formula |
C27H27ClN2O8
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| Molecular Weight |
542.972
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| Canonical SMILES |
COc1ccc(NC(=O)CO\N=C2\Cc3c(Cl)c(O)cc(O)c3C(=O)O[C@H](C)C[C@H]3O[C@@H]3/C=C\C=C\2)cc1
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| InChI |
InChI=1S/C27H27ClN2O8/c1-15-11-23-22(38-23)6-4-3-5-17(12-19-25(27(34)37-15)20(31)13-21(32)26(19)28)30-36-14-24(33)29-16-7-9-18(35-2)10-8-16/h3-10,13,15,22-23,31-32H,11-12,14H2,1-2H3,(H,29,33)/b5-3+,6-4-,30-17+/t15-,22-,23-/m1/s1
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| InChIKey |
JVNSKDYNTNGTCA-GAAAHNEISA-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