General Information of the Compound
| Compound ID |
CP0446228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 267
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19F5N8
|
||||||||||||||||||
| Molecular Weight |
478.429
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CNc1nc(Nc2ccnc(c2)C(C)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19F5N8/c1-19(2,10-27)11-29-17-32-16(13-5-4-6-14(31-13)21(24,25)26)33-18(34-17)30-12-7-8-28-15(9-12)20(3,22)23/h4-9H,11H2,1-3H3,(H2,28,29,30,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LWUOICMGVABMMB-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