General Information of the Compound
| Compound ID |
CP0141911
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-3-methyl-5-[1-(3-methylbutyl)pyrazol-4-yl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N7O
|
||||||||||||||||||
| Molecular Weight |
403.49
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1cc(cn1)C1(N=C(N)N(C)C1=O)c1cccc(c1)-c1cncnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N7O/c1-15(2)7-8-29-13-19(12-26-29)22(20(30)28(3)21(23)27-22)18-6-4-5-16(9-18)17-10-24-14-25-11-17/h4-6,9-15H,7-8H2,1-3H3,(H2,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUYKHVPWTFUMKA-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