General Information of the Compound
| Compound ID |
CP0231883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{8-amino-3-[(2R)-4-(3-methoxypropanoyl)morpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H26F3N7O4
|
||||||||||||||||||
| Molecular Weight |
581.555
|
||||||||||||||||||
| Canonical SMILES |
CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26F3N7O4/c1-27(14-41-15-27)26(40)37-10-11-42-19(13-37)24-36-21(22-23(32)34-8-9-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-18(6-7-33-20)28(29,30)31/h2-9,12,19H,10-11,13-15H2,1H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDZMYKJOFRYQQR-LJQANCHMSA-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