General Information of the Compound
| Compound ID |
CP0517171
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| Compound Name |
tert-butyl N-[3-[6-chloro-2-hydroxy-3-[(5-oxo-4-phenyl-1,4-dihydroimidazol-2-yl)amino]phenyl]sulfonylpropyl]carbamate
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| Formula |
C23H27ClN4O6S
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| Molecular Weight |
523.011
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCCS(=O)(=O)c1c(Cl)ccc(NC2=NC(=O)C(N2)c2ccccc2)c1O
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| InChI |
InChI=1S/C23H27ClN4O6S/c1-23(2,3)34-22(31)25-12-7-13-35(32,33)19-15(24)10-11-16(18(19)29)26-21-27-17(20(30)28-21)14-8-5-4-6-9-14/h4-6,8-11,17,29H,7,12-13H2,1-3H3,(H,25,31)(H2,26,27,28,30)
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| InChIKey |
WDGAPSJJNQFKEV-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