General Information of the Compound
| Compound ID |
CP0445403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N6O2
|
||||||||||||||||||
| Molecular Weight |
358.446
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)Nc1cc(nc(n1)-n1nc(C)cc1C)N1CCC[C@@H]1COC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N6O2/c1-5-17(25)19-15-10-16(23-8-6-7-14(23)11-26-4)21-18(20-15)24-13(3)9-12(2)22-24/h9-10,14H,5-8,11H2,1-4H3,(H,19,20,21,25)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIFGOPVTYSLYLX-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a