General Information of the Compound
| Compound ID |
CP0321138
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-2-[(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-3-(3-methyloxetan-3-yl)prop-2-enenitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28FN7O3
|
||||||||||||||||||
| Molecular Weight |
553.598
|
||||||||||||||||||
| Canonical SMILES |
CC1(COC1)\C=C(/C#N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28FN7O3/c1-30(16-40-17-30)13-19(14-32)29(39)37-11-5-6-20(15-37)38-28-25(27(33)34-18-35-28)26(36-38)23-10-9-22(12-24(23)31)41-21-7-3-2-4-8-21/h2-4,7-10,12-13,18,20H,5-6,11,15-17H2,1H3,(H2,33,34,35)/b19-13+/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMFRDFRBBMJVMK-UMSHPIDHSA-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