General Information of the Compound
| Compound ID |
CP0378832
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| Compound Name |
3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino}-2-hydroxy-N,N,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C17H18BrN5O3S
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| Molecular Weight |
452.334
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| Canonical SMILES |
CN(C)S(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O
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| InChI |
InChI=1S/C17H18BrN5O3S/c1-11-8-9-14(15(24)16(11)27(25,26)23(2)3)22-17(20-10-19)21-13-7-5-4-6-12(13)18/h4-9,24H,1-3H3,(H2,20,21,22)
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| InChIKey |
WEGWRFJDASFVFU-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