General Information of the Compound
| Compound ID |
CP0161105
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| Compound Name |
N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]-4-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C28H20N2O6S
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| Molecular Weight |
512.543
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| Canonical SMILES |
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)c1
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| InChI |
InChI=1S/C28H20N2O6S/c31-24-6-2-3-18(17-24)19-7-13-26-20(15-19)8-14-27(32)28(26)21-4-1-5-22(16-21)29-37(35,36)25-11-9-23(10-12-25)30(33)34/h1-17,29,31-32H
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| InChIKey |
CJPPUTUNHZPJHQ-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