General Information of the Compound
| Compound ID |
CP0439048
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| Compound Name |
3-[3-(2-Bromo-phenyl)-ureido]-6-chloro-2-hydroxy-N,N-dimethyl-benzenesulfonamide
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| Structure |
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| Formula |
C15H15BrClN3O4S
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| Molecular Weight |
448.726
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| Canonical SMILES |
CN(C)S(=O)(=O)c1c(Cl)ccc(NC(=O)Nc2ccccc2Br)c1O
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| InChI |
InChI=1S/C15H15BrClN3O4S/c1-20(2)25(23,24)14-10(17)7-8-12(13(14)21)19-15(22)18-11-6-4-3-5-9(11)16/h3-8,21H,1-2H3,(H2,18,19,22)
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| InChIKey |
VFIHSHQEJFZETC-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
Protein ID: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2