General Information of the Compound
| Compound ID |
CP0273097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3R)-3-[[3-bromo-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N,1-dimethylcyclopentane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23BrN8O2
|
||||||||||||||||||
| Molecular Weight |
511.384
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)o3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23BrN8O2/c1-12-28-29-19(33-12)13-4-6-15(7-5-13)31-18-16(17(23)30-31)11-25-21(27-18)26-14-8-9-22(2,10-14)20(32)24-3/h4-7,11,14H,8-10H2,1-3H3,(H,24,32)(H,25,26,27)/t14-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JIYBZYGHQFKNSV-JLCFBVMHSA-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