General Information of the Compound
| Compound ID |
CP0908190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062048, 132
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H31F3N6O2
|
||||||||||||||||||
| Molecular Weight |
492.546
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(N3CCOCC3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H31F3N6O2/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-35-10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKJOKJOMQZATKP-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