General Information of the Compound
| Compound ID |
CP0163924
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| Compound Name |
4-bromo-2,5-difluoro-N-[3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H18BrF2NO4S
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| Molecular Weight |
582.422
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| Canonical SMILES |
Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1
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| InChI |
InChI=1S/C28H18BrF2NO4S/c29-23-14-25(31)27(15-24(23)30)37(35,36)32-20-5-1-4-19(12-20)28-22-9-7-17(11-18(22)8-10-26(28)34)16-3-2-6-21(33)13-16/h1-15,32-34H
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| InChIKey |
IBSATFGFOWJZGR-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