General Information of the Compound
| Compound ID |
CP0553102
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| Compound Name |
(4S)-2-(4-chloro-2-hydroxy-3-propan-2-ylsulfonylanilino)-4-methyl-1,4-dihydroimidazol-5-one
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| Formula |
C13H16ClN3O4S
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| Molecular Weight |
345.808
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| Canonical SMILES |
CC(C)S(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)[C@H](C)N2)c1O
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| InChI |
InChI=1S/C13H16ClN3O4S/c1-6(2)22(20,21)11-8(14)4-5-9(10(11)18)16-13-15-7(3)12(19)17-13/h4-7,18H,1-3H3,(H2,15,16,17,19)/t7-/m0/s1
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| InChIKey |
MBRIZVKVPRBXJV-ZETCQYMHSA-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