General Information of the Compound
| Compound ID |
CP0464254
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| Compound Name |
1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]-2-cyano-3-(2-phenylphenyl)guanidine
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| Structure |
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| Formula |
C22H20ClN5O3S
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| Molecular Weight |
469.954
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| Canonical SMILES |
CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2-c2ccccc2)c1O
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| InChI |
InChI=1S/C22H20ClN5O3S/c1-28(2)32(30,31)21-17(23)12-13-19(20(21)29)27-22(25-14-24)26-18-11-7-6-10-16(18)15-8-4-3-5-9-15/h3-13,29H,1-2H3,(H2,25,26,27)
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| InChIKey |
IYZWLQHDOCJREA-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