General Information of the Compound
| Compound ID |
CP0092375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-isopropyl-5-(((1S, 2R)-2-(6-methylpyridazin-3-ylamino)cyclohexyl)methyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N7O
|
||||||||||||||||||
| Molecular Weight |
381.484
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1[nH]nc2c1nc(C[C@@H]1CCCC[C@H]1Nc1ccc(C)nn1)[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N7O/c1-11(2)17-18-19(27-26-17)20(28)23-16(22-18)10-13-6-4-5-7-14(13)21-15-9-8-12(3)24-25-15/h8-9,11,13-14H,4-7,10H2,1-3H3,(H,21,25)(H,26,27)(H,22,23,28)/t13-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMRWYXIODMVINY-UONOGXRCSA-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