General Information of the Compound
Compound ID |
CP0573045
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
Formula |
C28H29FN8O3
|
||||||||||||||||||
Molecular Weight |
544.591
|
||||||||||||||||||
Canonical SMILES |
Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCN(C4)C(=O)C4(C)COC4)n4ccnc(N)c34)c(F)c2)cn1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C28H29FN8O3/c1-16-11-33-21(12-32-16)34-26(38)17-5-6-19(20(29)10-17)22-23-24(30)31-7-9-37(23)25(35-22)18-4-3-8-36(13-18)27(39)28(2)14-40-15-28/h5-7,9-12,18H,3-4,8,13-15H2,1-2H3,(H2,30,31)(H,33,34,38)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
IQEDEOHQNJZHPK-GOSISDBHSA-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 | |||||||||||||||||||
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