General Information of the Compound
| Compound ID |
CP0037891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-methyl-N-[4-(4-morpholin-4-yl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N6O2
|
||||||||||||||||||
| Molecular Weight |
428.496
|
||||||||||||||||||
| Canonical SMILES |
CN(C(C)=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O2/c1-17(31)28(2)19-10-8-18(9-11-19)22-26-23(29-12-14-32-15-13-29)21-16-25-30(24(21)27-22)20-6-4-3-5-7-20/h3-11,16H,12-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGNWNPNHRQNBPI-UHFFFAOYSA-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