General Information of the Compound
| Compound ID |
CP0462351
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| Compound Name |
1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]-2-cyano-3-[2-(propan-2-yl)phenyl]guanidine
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| Structure |
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| Formula |
C19H22ClN5O3S
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| Molecular Weight |
435.937
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| Canonical SMILES |
CC(C)c1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C19H22ClN5O3S/c1-12(2)13-7-5-6-8-15(13)23-19(22-11-21)24-16-10-9-14(20)18(17(16)26)29(27,28)25(3)4/h5-10,12,26H,1-4H3,(H2,22,23,24)
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| InChIKey |
MJYWNWXBXOJFTD-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