General Information of the Compound
| Compound ID |
CP0401778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 318
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23F7N6
|
||||||||||||||||||
| Molecular Weight |
492.443
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccnc(c1)-c1nc(NC2CCC(F)(F)CC2)nc(NC2CCC(F)(F)CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F7N6/c22-19(23)6-1-13(2-7-19)30-17-32-16(15-11-12(5-10-29-15)21(26,27)28)33-18(34-17)31-14-3-8-20(24,25)9-4-14/h5,10-11,13-14H,1-4,6-9H2,(H2,30,31,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVGPCRWUHFXMHW-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