General Information of the Compound
| Compound ID |
CP0128743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-1-[4-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27F2N9O2
|
||||||||||||||||||
| Molecular Weight |
487.515
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](N)C(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F2N9O2/c1-14(25)19(34)30-6-8-31(9-7-30)20-27-21(32-10-12-35-13-11-32)29-22(28-20)33-16-5-3-2-4-15(16)26-18(33)17(23)24/h2-5,14,17H,6-13,25H2,1H3/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOXYKHRWEBKXEN-AWEZNQCLSA-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 | |||||||||||||||||||