General Information of the Compound
| Compound ID |
CP0921071
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| Compound Name |
N-[4-chloro-2-hydroxy-3-(4-piperidinylsulfonyl)-phenyl]-N'-{2-[(tritluoromethyl)oxyj-phenyl)urea
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| Structure |
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| Formula |
C19H19ClF3N3O5S
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| Molecular Weight |
493.891
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| Canonical SMILES |
O=C(Nc1ccccc1OC(F)(F)F)Nc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O
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| InChI |
InChI=1S/C19H19ClF3N3O5S/c20-12-5-6-14(16(27)17(12)32(29,30)11-7-9-24-10-8-11)26-18(28)25-13-3-1-2-4-15(13)31-19(21,22)23/h1-6,11,24,27H,7-10H2,(H2,25,26,28)
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| InChIKey |
UDEAWUIUSZJSEN-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