General Information of the Compound
| Compound ID |
CP0013270
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-6-[[(1S)-1-[1-(3,5-difluorophenyl)-6-fluorobenzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14F3N7
|
||||||||||||||||||
| Molecular Weight |
409.375
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14F3N7/c1-10(28-19-15(8-24)18(25)26-9-27-19)20-29-16-3-2-11(21)7-17(16)30(20)14-5-12(22)4-13(23)6-14/h2-7,9-10H,1H3,(H3,25,26,27,28)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FXIHQUPVPUKVJH-JTQLQIEISA-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