General Information of the Compound
| Compound ID |
CP0395844
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-1-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]piperidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27F2N9O2
|
||||||||||||||||||
| Molecular Weight |
487.515
|
||||||||||||||||||
| Canonical SMILES |
NCC(=O)N1CCC(CC1)Nc1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F2N9O2/c23-18(24)19-27-15-3-1-2-4-16(15)33(19)22-29-20(28-21(30-22)32-9-11-35-12-10-32)26-14-5-7-31(8-6-14)17(34)13-25/h1-4,14,18H,5-13,25H2,(H,26,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OOERQZLSCDHGEQ-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