General Information of the Compound
| Compound ID |
CP0943508
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| Compound Name |
ethyl4-{[6-chloro-3-({[(2-chloro-3-fluorophenyl)amino]-carbonyljamino]-2-hydroxyphenyl[sulfonyl}-1-piperidinecarboxylate
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| Structure |
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| Formula |
C21H22Cl2FN3O6S
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| Molecular Weight |
534.393
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| Canonical SMILES |
CCOC(=O)N1CCC(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1
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| InChI |
InChI=1S/C21H22Cl2FN3O6S/c1-2-33-21(30)27-10-8-12(9-11-27)34(31,32)19-13(22)6-7-16(18(19)28)26-20(29)25-15-5-3-4-14(24)17(15)23/h3-7,12,28H,2,8-11H2,1H3,(H2,25,26,29)
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| InChIKey |
UNSQETVNQPAXKQ-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