General Information of the Compound
| Compound ID |
CP0726228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-((5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-N,5-dimethyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN7O3
|
||||||||||||||||||
| Molecular Weight |
465.901
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN7O3/c1-12-16(10-24-30(12)22-25-17-5-3-4-15(17)19(31)26-22)21(32)29(2)11-18-27-28-20(33-18)13-6-8-14(23)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,25,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQWNCFBMTFBXAT-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