General Information of the Compound
| Compound ID |
CP0555920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9029393, 85
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N5O
|
||||||||||||||||||
| Molecular Weight |
441.457
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(-c2cnc3ccc(cn23)C(F)(F)F)c2ccc(cc12)C(=O)N1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N5O/c1-29-18-12-15(22(32)30-10-4-2-3-5-11-30)6-8-17(18)21(28-29)19-13-27-20-9-7-16(14-31(19)20)23(24,25)26/h6-9,12-14H,2-5,10-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJVANQWLCDXXMG-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