General Information of the Compound
| Compound ID |
CP0422627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9085584, 40
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClN5O2
|
||||||||||||||||||
| Molecular Weight |
395.85
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2cccnc2n2c(nnc12)-c1cc(OC2CCC(O)C2)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClN5O2/c1-11-18-24-25-19(26(18)20-17(23-11)3-2-8-22-20)15-10-14(6-7-16(15)21)28-13-5-4-12(27)9-13/h2-3,6-8,10,12-13,27H,4-5,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOLGYGMKMVZBTC-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