General Information of the Compound
| Compound ID |
CP0464167
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| Compound Name |
[4-[[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]-methylamino]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C19H18BFN4O3
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| Molecular Weight |
380.188
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| Canonical SMILES |
CN(Cc1ccc(cc1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C19H18BFN4O3/c1-25(12-13-2-4-15(5-3-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-8-6-16(21)7-9-17/h2-11,27-28H,12H2,1H3,(H,24,26)
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| InChIKey |
ASWBTVXNCFSFOM-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