General Information of the Compound
| Compound ID |
CP0732543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-3-(6-((1-Isopropylpiperidin-3-yl)methyl)-7-oxo-5-o-tolyl-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-2-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N6O
|
||||||||||||||||||
| Molecular Weight |
466.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1-c1nc2cn(-c3cccc(C#N)c3)nc2c(=O)n1CC1CCCN(C(C)C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N6O/c1-19(2)32-13-7-10-22(16-32)17-33-27(24-12-5-4-8-20(24)3)30-25-18-34(31-26(25)28(33)35)23-11-6-9-21(14-23)15-29/h4-6,8-9,11-12,14,18-19,22H,7,10,13,16-17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWKFOMUKJXFUKF-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 | |||||||||||||||||||
| 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