General Information of the Compound
| Compound ID |
CP0464256
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| Compound Name |
6-chloro-3-({(cyanoimino)[(2-ethylphenyl)amino]methyl}amino)-2-hydroxy-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C18H20ClN5O3S
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| Molecular Weight |
421.91
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| Canonical SMILES |
CCc1ccccc1NC(NC#N)=Nc1ccc(Cl)c(c1O)S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C18H20ClN5O3S/c1-4-12-7-5-6-8-14(12)22-18(21-11-20)23-15-10-9-13(19)17(16(15)25)28(26,27)24(2)3/h5-10,25H,4H2,1-3H3,(H2,21,22,23)
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| InChIKey |
NTWHZYBSKKHULS-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