General Information of the Compound
| Compound ID |
CP0921720
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| Compound Name |
N-[3-(3-azetidinylsulfonyl)-4-chloro-2-hydroxyphenyl]-N'-(2-chloro-3-pyridinyl)urea
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| Structure |
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| Formula |
C15H14Cl2N4O4S
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| Molecular Weight |
417.274
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| Canonical SMILES |
O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)C2CNC2)c1O
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| InChI |
InChI=1S/C15H14Cl2N4O4S/c16-9-3-4-10(12(22)13(9)26(24,25)8-6-18-7-8)20-15(23)21-11-2-1-5-19-14(11)17/h1-5,8,18,22H,6-7H2,(H2,20,21,23)
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| InChIKey |
OXIHKHMWVLOODK-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