General Information of the Compound
| Compound ID |
CP0411874
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| Compound Name |
4-(2-methyl-1-(7-(quinolin-2-ylmethoxy)naphthalene-2-sulfonamido)propan-2-yl)benzoic acid
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| Structure |
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| Formula |
C31H28N2O5S
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| Molecular Weight |
540.641
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| Canonical SMILES |
CC(C)(CNS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C31H28N2O5S/c1-31(2,25-12-7-23(8-13-25)30(34)35)20-32-39(36,37)28-16-11-21-10-15-27(17-24(21)18-28)38-19-26-14-9-22-5-3-4-6-29(22)33-26/h3-18,32H,19-20H2,1-2H3,(H,34,35)
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| InChIKey |
OBMVLVFVZFHMRW-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