General Information of the Compound
| Compound ID |
CP0862458
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| Compound Name |
N-{3-[(1R,5S)-8-azabicyclo[3.2.1]oct-3-yisulfonyl]-4-chloro-2-hydroxyphenyl}-N'-(3-fluoro-2-methylphenyl)urea
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| Structure |
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| Formula |
C21H23ClFN3O4S
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| Molecular Weight |
467.95
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| Canonical SMILES |
Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C2C[C@H]3CC[C@@H](C2)N3)c1O
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| InChI |
InChI=1S/C21H23ClFN3O4S/c1-11-16(23)3-2-4-17(11)25-21(28)26-18-8-7-15(22)20(19(18)27)31(29,30)14-9-12-5-6-13(10-14)24-12/h2-4,7-8,12-14,24,27H,5-6,9-10H2,1H3,(H2,25,26,28)/t12-,13+,14?
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| InChIKey |
FLPRVHAJERWVDF-PBWFPOADSA-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