General Information of the Compound
| Compound ID |
CP0862459
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| Compound Name |
N-(2-chloro-3-fluorophenyl)-N'-{4-chloro-2-hydroxy-3-[(3S)-3-piperidinylsulfonyl]phenyl}urea
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| Structure |
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| Formula |
C18H18Cl2FN3O4S
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| Molecular Weight |
462.33
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O)Nc1cccc(F)c1Cl
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| InChI |
InChI=1S/C18H18Cl2FN3O4S/c19-11-6-7-14(24-18(26)23-13-5-1-4-12(21)15(13)20)16(25)17(11)29(27,28)10-3-2-8-22-9-10/h1,4-7,10,22,25H,2-3,8-9H2,(H2,23,24,26)/t10-/m0/s1
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| InChIKey |
ZVDORRYGKFXKJT-JTQLQIEISA-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