General Information of the Compound
| Compound ID |
CP0417812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085584, 47
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22FN5O2
|
||||||||||||||||||
| Molecular Weight |
407.449
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OCC(C)(C)O)ccc1F)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22FN5O2/c1-12-19-26-27-20(15-10-14(6-7-16(15)23)30-11-22(2,3)29)28(19)21-18(24-12)9-8-17(25-21)13-4-5-13/h6-10,13,29H,4-5,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEZMDSAIBIOKNZ-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
Protein ID: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Protein ID: PT02047, cGMP-dependent 3',5'-cyclic phosphodiesterase