General Information of the Compound
| Compound ID |
CP0862453
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| Compound Name |
N-(4-chloro-2-hydroxy-3-{[(3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl]sulfonyl}phenyl)-N'-(3-fluoro-2-methylphenyl)urea
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| Formula |
C22H25ClFN3O4S
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| Molecular Weight |
481.977
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| Canonical SMILES |
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H](C2)N3C)c1O
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| InChI |
InChI=1S/C22H25ClFN3O4S/c1-12-17(24)4-3-5-18(12)25-22(29)26-19-9-8-16(23)21(20(19)28)32(30,31)15-10-13-6-7-14(11-15)27(13)2/h3-5,8-9,13-15,28H,6-7,10-11H2,1-2H3,(H2,25,26,29)/t13-,14+,15-
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| InChIKey |
DUNGAEKWCMZUQI-QDMKHBRRSA-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