General Information of the Compound
| Compound ID |
CP0564386
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-N-[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4,6-triamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40N8O3S
|
||||||||||||||||||
| Molecular Weight |
592.77
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(N)n[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40N8O3S/c1-17(2)41-24-16-21(20-11-13-38(6)14-12-20)19(5)15-23(24)33-30-34-28(26-27(31)36-37-29(26)35-30)32-22-9-7-8-10-25(22)42(39,40)18(3)4/h7-10,15-18,20H,11-14H2,1-6H3,(H5,31,32,33,34,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJORULJHGWXHKA-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