General Information of the Compound
| Compound ID |
CP0562917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4R)-1-[1-[(5-chloropyrimidin-2-yl)methyl]-4-fluoro-6-methoxybenzimidazol-2-yl]-4-fluoropiperidin-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19ClF2N6O
|
||||||||||||||||||
| Molecular Weight |
408.84
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)c2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ncc(Cl)cn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19ClF2N6O/c1-28-11-4-13(21)17-15(5-11)27(9-16-23-6-10(19)7-24-16)18(25-17)26-3-2-12(20)14(22)8-26/h4-7,12,14H,2-3,8-9,22H2,1H3/t12-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAVRDVHZGGEPJZ-TZMCWYRMSA-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