General Information of the Compound
| Compound ID |
CP0952635
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| Compound Name |
N-[3-(3-azetidinylsulfonyl)-4-chloro-2-hydroxyphenyl]-N'-(2-chloro-3-fluorophenyl)urea
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| Structure |
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| Formula |
C16H14Cl2FN3O4S
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| Molecular Weight |
434.276
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)C2CNC2)c1O)Nc1cccc(F)c1Cl
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| InChI |
InChI=1S/C16H14Cl2FN3O4S/c17-9-4-5-12(14(23)15(9)27(25,26)8-6-20-7-8)22-16(24)21-11-3-1-2-10(19)13(11)18/h1-5,8,20,23H,6-7H2,(H2,21,22,24)
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| InChIKey |
MHTGRXKQMVYVCG-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