General Information of the Compound
| Compound ID |
CP0522507
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| Compound Name |
16-Chloro-17,19-dihydroxy-4-methyl-3,7-dioxa-tricyclo[13.4.0.0*6,8*]nonadeca-1(19),9,11,15,17-pentaene-2,13-dione 13-[O-(2-morpholin-4-yl-2-oxo-ethyl)-oxime]
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| Structure |
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| Formula |
C24H27ClN2O8
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| Molecular Weight |
506.939
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| Canonical SMILES |
C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(/Cc2c(Cl)c(O)cc(O)c2C(=O)O1)=N\OCC(=O)N1CCOCC1
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| InChI |
InChI=1S/C24H27ClN2O8/c1-14-10-20-19(35-20)5-3-2-4-15(26-33-13-21(30)27-6-8-32-9-7-27)11-16-22(24(31)34-14)17(28)12-18(29)23(16)25/h2-5,12,14,19-20,28-29H,6-11,13H2,1H3/b4-2+,5-3-,26-15+/t14-,19-,20-/m1/s1
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| InChIKey |
HJXCSSUBXYHPAQ-QZAHRVFXSA-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