General Information of the Compound
| Compound ID |
CP0493109
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| Compound Name |
(2-{1-[7-(Quinolin-2-ylmethoxy)-naphthalene-2-sulfonylamino]-ethyl}-phenyl)-acetic acid
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| Structure |
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| Formula |
C30H26N2O5S
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| Molecular Weight |
526.614
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| Canonical SMILES |
CC(NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccccc1CC(O)=O
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| InChI |
InChI=1S/C30H26N2O5S/c1-20(28-8-4-2-7-23(28)18-30(33)34)32-38(35,36)27-15-12-21-11-14-26(16-24(21)17-27)37-19-25-13-10-22-6-3-5-9-29(22)31-25/h2-17,20,32H,18-19H2,1H3,(H,33,34)
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| InChIKey |
LJWVDVWDAOWJAC-UHFFFAOYSA-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