General Information of the Compound
| Compound ID |
CP0548257
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[(3-cyanophenyl)methyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21N5O
|
||||||||||||||||||
| Molecular Weight |
371.444
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)N(Cc2cccc(c2)C#N)Cc2c(NC(=O)c3ccccc3)n[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21N5O/c1-22(2)19-18(14-27(22)13-16-8-6-7-15(11-16)12-23)20(26-25-19)24-21(28)17-9-4-3-5-10-17/h3-11H,13-14H2,1-2H3,(H2,24,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHNFKNSUZFGTIF-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