General Information of the Compound
| Compound ID |
CP0576522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[2-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N5O4
|
||||||||||||||||||
| Molecular Weight |
397.435
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)[C@@H]1CCCN1c1ccc2-c3nc(cn3CCOc2c1)N1CC[C@H](O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5O4/c21-18(27)14-2-1-6-24(14)12-3-4-13-16(10-12)29-9-8-23-11-17(22-19(13)23)25-7-5-15(26)20(25)28/h3-4,10-11,14-15,26H,1-2,5-9H2,(H2,21,27)/t14-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCEHXDMYLSWDOT-GJZGRUSLSA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform