General Information of the Compound
| Compound ID |
CP0768930
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-methyl-1-[4-oxo-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrazole4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H12N4O3
|
||||||||||||||||||
| Molecular Weight |
260.253
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)O)cnn1-c1nc2c(c(=O)[nH]1)CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H12N4O3/c1-6-8(11(18)19)5-13-16(6)12-14-9-4-2-3-7(9)10(17)15-12/h5H,2-4H2,1H3,(H,18,19)(H,14,15,17)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RHAMCROIRCBLHV-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