General Information of the Compound
| Compound ID |
CP0541992
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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-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-oxime}
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| Structure |
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| Formula |
C25H30ClN3O7
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| Molecular Weight |
519.982
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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)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H30ClN3O7/c1-15-11-21-20(36-21)6-4-3-5-16(27-34-14-22(32)29-9-7-28(2)8-10-29)12-17-23(25(33)35-15)18(30)13-19(31)24(17)26/h3-6,13,15,20-21,30-31H,7-12,14H2,1-2H3/b5-3+,6-4-,27-16+/t15-,20-,21-/m1/s1
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| InChIKey |
YWEXMRIVUUPEPC-AHUKYWOGSA-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