General Information of the Compound
| Compound ID |
CP0464257
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| Compound Name |
3-[2-(benzyloxy)phenyl]-1-[4-chloro-3-(dimethylsulfamoyl)-2-hydroxyphenyl]-2-cyanoguanidine
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| Structure |
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| Formula |
C23H22ClN5O4S
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| Molecular Weight |
499.98
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| Canonical SMILES |
CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2OCc2ccccc2)c1O
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| InChI |
InChI=1S/C23H22ClN5O4S/c1-29(2)34(31,32)22-17(24)12-13-19(21(22)30)28-23(26-15-25)27-18-10-6-7-11-20(18)33-14-16-8-4-3-5-9-16/h3-13,30H,14H2,1-2H3,(H2,26,27,28)
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| InChIKey |
WPWBLYBMUDAPNW-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