General Information of the Compound
| Compound ID |
CP0423418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S,4S)-4-(3,4-difluorophenyl)piperidin-3-yl]-2,5-difluoro-4-(2-methylpyrazol-3-yl)benzamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClF4N4O
|
||||||||||||||||||
| Molecular Weight |
468.882
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cn1nccc1-c1cc(F)c(cc1F)C(=O)N[C@@H]1CNCC[C@H]1c1ccc(F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F4N4O.ClH/c1-30-21(5-7-28-30)14-9-18(25)15(10-17(14)24)22(31)29-20-11-27-6-4-13(20)12-2-3-16(23)19(26)8-12;/h2-3,5,7-10,13,20,27H,4,6,11H2,1H3,(H,29,31);1H/t13-,20+;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XITONLBADOURBI-IAJYROFQSA-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 | |||||||||||||||||||
| 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