General Information of the Compound
| Compound ID |
CP0551967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-methoxy-4-(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-pyrrolidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N4O2
|
||||||||||||||||||
| Molecular Weight |
404.514
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N4O2/c1-30-22-14-17(24(29)28-12-2-3-13-28)4-5-19(22)18-8-11-26-23-20(18)15-21(27-23)16-6-9-25-10-7-16/h4-5,8,11,14-16,25H,2-3,6-7,9-10,12-13H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBWQPLLCGUWXEE-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 | |||||||||||||||||||
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