General Information of the Compound
| Compound ID |
CP0453167
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| Compound Name |
(E)-5-[1-(4-octyloxy-3-methoxyphenyl)-1-phenylmethylene]-sulfohydrazono isophthalic acid
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| Structure |
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| Formula |
C30H34N2O8S
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| Molecular Weight |
582.675
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| Canonical SMILES |
CCCCCCCCOc1ccc(cc1OC)C(=N\NS(=O)(=O)c1cc(cc(c1)C(O)=O)C(O)=O)\c1ccccc1
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| InChI |
InChI=1S/C30H34N2O8S/c1-3-4-5-6-7-11-16-40-26-15-14-22(20-27(26)39-2)28(21-12-9-8-10-13-21)31-32-41(37,38)25-18-23(29(33)34)17-24(19-25)30(35)36/h8-10,12-15,17-20,32H,3-7,11,16H2,1-2H3,(H,33,34)(H,35,36)/b31-28+
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| InChIKey |
IYXFVJWYBVLEHK-CCFHIKDMSA-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