General Information of the Compound
| Compound ID |
CP0403037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9090596, 48
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O6
|
||||||||||||||||||
| Molecular Weight |
507.465
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(F)(F)F)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O6/c1-12-7-8-15(36-12)21(23(2)10-35-11-23)29-17-16(19(32)20(17)33)28-14-6-4-5-13(18(14)31)22(34)30(3)9-24(25,26)27/h4-8,21,28-29,31H,9-11H2,1-3H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRHPZVNAGXMSIH-NRFANRHFSA-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