General Information of the Compound
| Compound ID |
CP0910415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 237
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21F6N5O3
|
||||||||||||||||||
| Molecular Weight |
553.463
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3c(c2)CCO3)=C1c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F6N5O3/c26-24(27,28)9-1-10-38-17-5-3-16(4-6-17)23(25(29,30)31)13-18(14-2-7-19-15(12-14)8-11-39-19)20(22(37)32-23)21-33-35-36-34-21/h2-7,12H,1,8-11,13H2,(H,32,37)(H,33,34,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAIRPGWXURRANE-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