General Information of the Compound
| Compound ID |
CP0419168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-morpholin-4-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H27F2N5O2
|
||||||||||||||||||
| Molecular Weight |
467.52
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)N(Cc2cc(F)cc(F)c2)Cc2c(NC(=O)c3cccc(c3)N3CCOCC3)n[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F2N5O2/c1-25(2)22-21(15-32(25)14-16-10-18(26)13-19(27)11-16)23(30-29-22)28-24(33)17-4-3-5-20(12-17)31-6-8-34-9-7-31/h3-5,10-13H,6-9,14-15H2,1-2H3,(H2,28,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLXDGCSIJRNQOU-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 | |||||||||||||||||||
| 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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor
Protein ID: PT00936, NT-3 growth factor receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000652 | KM12 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 1000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|