General Information of the Compound
| Compound ID |
CP0920834
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| Compound Name |
ethyl4-{[6-chloro-3-({[(3-fluoro-2-methylphenyl)amino]-carbonyljamino]-2-hydroxyphenyl[sulfonyl}-1-piperidinecarboxylate
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| Structure |
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| Formula |
C22H25ClFN3O6S
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| Molecular Weight |
513.975
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| Canonical SMILES |
CCOC(=O)N1CCC(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3C)c2O)CC1
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| InChI |
InChI=1S/C22H25ClFN3O6S/c1-3-33-22(30)27-11-9-14(10-12-27)34(31,32)20-15(23)7-8-18(19(20)28)26-21(29)25-17-6-4-5-16(24)13(17)2/h4-8,14,28H,3,9-12H2,1-2H3,(H2,25,26,29)
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| InChIKey |
XIWDXADXPBRSJR-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