General Information of the Compound
| Compound ID |
CP0412008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10028961, Compound 21
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N6
|
||||||||||||||||||
| Molecular Weight |
414.435
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Nc1nc(NCc2ccccc2)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N6/c1-13(15-10-11-15)26-20-29-18(16-8-5-9-17(27-16)21(22,23)24)28-19(30-20)25-12-14-6-3-2-4-7-14/h2-9,13,15H,10-12H2,1H3,(H2,25,26,28,29,30)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IUYXTIDKXVUWDD-CYBMUJFWSA-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