General Information of the Compound
| Compound ID |
CP0453369
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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-oxo-2-piperidin-1-yl-ethyl)-oxime]
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| Structure |
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| Formula |
C25H29ClN2O7
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| Molecular Weight |
504.967
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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)N1CCCCC1
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| InChI |
InChI=1S/C25H29ClN2O7/c1-15-11-21-20(35-21)8-4-3-7-16(27-33-14-22(31)28-9-5-2-6-10-28)12-17-23(25(32)34-15)18(29)13-19(30)24(17)26/h3-4,7-8,13,15,20-21,29-30H,2,5-6,9-12,14H2,1H3/b7-3+,8-4-,27-16+/t15-,20-,21-/m1/s1
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| InChIKey |
YCQPZKKOOORSGF-ISTBKTQZSA-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