General Information of the Compound
| Compound ID |
CP0313088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(3,5-dimethoxyphenyl)amino]-5-[(pyridin-4-ylmethyl)amino]imidazo[1,2-a]pyrimidine-8-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N7O3
|
||||||||||||||||||
| Molecular Weight |
419.445
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nc(NCc3ccncc3)n3ccnc3c2C(N)=O)cc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N7O3/c1-30-15-9-14(10-16(11-15)31-2)26-19-17(18(22)29)20-24-7-8-28(20)21(27-19)25-12-13-3-5-23-6-4-13/h3-11,26H,12H2,1-2H3,(H2,22,29)(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWHSEMWBYSTBAM-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
Protein ID: PT02470, Lysine--tRNA ligase
Protein ID: PT00846, Tyrosine-protein kinase ZAP-70