General Information of the Compound
| Compound ID |
CP0215951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-[4-[7-[(3S)-3-ethylmorpholin-4-yl]-1-methylpyrazolo[4,3-d]pyrimidin-5-yl]phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N7O2
|
||||||||||||||||||
| Molecular Weight |
409.494
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOC[C@@H]2CC)c2n(C)ncc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N7O2/c1-4-16-13-30-11-10-28(16)20-18-17(12-23-27(18)3)25-19(26-20)14-6-8-15(9-7-14)24-21(29)22-5-2/h6-9,12,16H,4-5,10-11,13H2,1-3H3,(H2,22,24,29)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFFHBQFOKXDZFK-INIZCTEOSA-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