General Information of the Compound
| Compound ID |
CP0903457
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| Compound Name |
N-[4-chloro-2-hydroxy-3-(4-piperidinylsulfonyl)-phenyl]-N'-(2,2-difluoro-1,3-benzodioxol-4-yl)urea
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| Structure |
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| Formula |
C19H18ClF2N3O6S
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| Molecular Weight |
489.884
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O)Nc1cccc2c1OC(F)(F)O2
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| InChI |
InChI=1S/C19H18ClF2N3O6S/c20-11-4-5-12(15(26)17(11)32(28,29)10-6-8-23-9-7-10)24-18(27)25-13-2-1-3-14-16(13)31-19(21,22)30-14/h1-5,10,23,26H,6-9H2,(H2,24,25,27)
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| InChIKey |
QBBZZDIQIBBIPR-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