General Information of the Compound
| Compound ID |
CP0419152
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-(3-(2,6-dichlorophenylamino)-6-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20Cl2N6O2
|
||||||||||||||||||
| Molecular Weight |
459.337
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H](O)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20Cl2N6O2/c22-16-7-4-8-17(23)18(16)26-19-15-11-24-21(25-13-5-2-1-3-6-13)27-20(15)29(28-19)10-9-14(31)12-30/h1-8,11,14,30-31H,9-10,12H2,(H,26,28)(H,24,25,27)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAOMCQARFXSSHP-CQSZACIVSA-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