General Information of the Compound
| Compound ID |
CP0419166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(3,5-difluorophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H30F2N6O
|
||||||||||||||||||
| Molecular Weight |
480.563
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c2c1CN(Cc1cc(F)cc(F)c1)C2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30F2N6O/c1-26(2)23-22(16-34(26)15-17-12-19(27)14-20(28)13-17)24(31-30-23)29-25(35)18-4-6-21(7-5-18)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11,15-16H2,1-3H3,(H2,29,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHKNPVMZBCKSLF-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