General Information of the Compound
| Compound ID |
CP0460945
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-N-(2-amino-2-oxoethyl)-1-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27F2N9O3
|
||||||||||||||||||
| Molecular Weight |
515.525
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CNC(=O)[C@H]1CCCN(C1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27F2N9O3/c24-18(25)19-28-15-5-1-2-6-16(15)34(19)23-30-21(32-8-10-37-11-9-32)29-22(31-23)33-7-3-4-14(13-33)20(36)27-12-17(26)35/h1-2,5-6,14,18H,3-4,7-13H2,(H2,26,35)(H,27,36)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIEYONFDGVLHEN-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 | |||||||||||||||||||
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