General Information of the Compound
| Compound ID |
CP0539316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[[[5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]-methylamino]methyl]pyridin-3-yl]boronic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17BFN5O3
|
||||||||||||||||||
| Molecular Weight |
381.176
|
||||||||||||||||||
| Canonical SMILES |
CN(Cc1ccc(cn1)B(O)O)c1ncc(cn1)C(=O)Nc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17BFN5O3/c1-25(11-16-5-2-13(10-21-16)19(27)28)18-22-8-12(9-23-18)17(26)24-15-6-3-14(20)4-7-15/h2-10,27-28H,11H2,1H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVCRCHZYSCOVGC-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