General Information of the Compound
| Compound ID |
CP0073456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-isoquinolin-1-yl-N-[(3R)-piperidin-3-yl]-4-pyrazolo[1,5-a]pyrimidin-3-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N6O
|
||||||||||||||||||
| Molecular Weight |
448.53
|
||||||||||||||||||
| Canonical SMILES |
O=C(N([C@@H]1CCCNC1)c1nccc2ccccc12)c1ccc(cc1)-c1cnn2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N6O/c34-27(21-10-8-20(9-11-21)24-18-31-32-16-4-14-29-25(24)32)33(22-6-3-13-28-17-22)26-23-7-2-1-5-19(23)12-15-30-26/h1-2,4-5,7-12,14-16,18,22,28H,3,6,13,17H2/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZOPBHFGGXCMCI-JOCHJYFZSA-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