General Information of the Compound
| Compound ID |
CP0413760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-[[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]-methylamino]methyl]phenyl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18BFN4O3
|
||||||||||||||||||
| Molecular Weight |
380.188
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1cccc(c1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18BFN4O3/c1-25(12-13-3-2-4-15(9-13)20(27)28)19-22-10-14(11-23-19)18(26)24-17-7-5-16(21)6-8-17/h2-11,27-28H,12H2,1H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFOXYIAFXOESBJ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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