General Information of the Compound
| Compound ID |
CP0499360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-N-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)-1-N-phenylbenzene-1,3-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N5O3
|
||||||||||||||||||
| Molecular Weight |
387.399
|
||||||||||||||||||
| Canonical SMILES |
COc1n[nH]c2ncc(NC(=O)c3cccc(c3)C(=O)Nc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N5O3/c1-29-21-17-11-16(12-22-18(17)25-26-21)24-20(28)14-7-5-6-13(10-14)19(27)23-15-8-3-2-4-9-15/h2-12H,1H3,(H,23,27)(H,24,28)(H,22,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRJWYAILHVLYLF-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