General Information of the Compound
| Compound ID |
CP0510189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21FN6O
|
||||||||||||||||||
| Molecular Weight |
440.482
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC2CN(C2C1)c1cnc2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21FN6O/c26-17-6-7-18(24-27-9-3-10-28-24)19(12-17)25(33)31-11-8-16-14-32(22(16)15-31)23-13-29-20-4-1-2-5-21(20)30-23/h1-7,9-10,12-13,16,22H,8,11,14-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNQOKYKRWVXCIL-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