General Information of the Compound
| Compound ID |
CP0566033
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[(2R,5R)-1-[2-[6-[difluoro(phenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H35F2N5O2
|
||||||||||||||||||
| Molecular Weight |
511.617
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)C(F)(F)c2ccccc2)[C@@H](CN2CCCC2=O)CN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H35F2N5O2/c1-19-15-34(22(14-31-19)16-33-11-7-10-24(33)36)17-25(37)35-18-27(2,3)26-23(35)12-21(13-32-26)28(29,30)20-8-5-4-6-9-20/h4-6,8-9,12-13,19,22,31H,7,10-11,14-18H2,1-3H3/t19-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWWPTUIPLTUDQJ-DENIHFKCSA-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
Protein ID: PT01191, Baculoviral IAP repeat-containing protein 2
Protein ID: PT01001, E3 ubiquitin-protein ligase XIAP