General Information of the Compound
| Compound ID |
CP0507748
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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-azepan-1-yl-2-oxo-ethyl)-oxime]
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| Structure |
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| Formula |
C26H31ClN2O7
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| Molecular Weight |
518.994
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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)N1CCCCCC1
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| InChI |
InChI=1S/C26H31ClN2O7/c1-16-12-22-21(36-22)9-5-4-8-17(28-34-15-23(32)29-10-6-2-3-7-11-29)13-18-24(26(33)35-16)19(30)14-20(31)25(18)27/h4-5,8-9,14,16,21-22,30-31H,2-3,6-7,10-13,15H2,1H3/b8-4+,9-5-,28-17+/t16-,21-,22-/m1/s1
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| InChIKey |
UWHAPSCBGNACNG-GOEZELEISA-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