General Information of the Compound
| Compound ID |
CP0576422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[2-[1-(2-hydroxyethyl)piperidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-methoxyphenyl]-pyrrolidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O3
|
||||||||||||||||||
| Molecular Weight |
448.567
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCN(CCO)CC1)C(=O)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O3/c1-33-24-16-19(26(32)30-10-2-3-11-30)4-5-21(24)20-6-9-27-25-22(20)17-23(28-25)18-7-12-29(13-8-18)14-15-31/h4-6,9,16-18,31H,2-3,7-8,10-15H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZIQIRCTEKPOEZ-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