General Information of the Compound
| Compound ID |
CP0543032
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9751881, Example 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N7O3
|
||||||||||||||||||
| Molecular Weight |
475.553
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2)c2ccc(cn2)-n2cnnn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N7O3/c1-17-19(3-4-20-21(17)14-35-24(20)34)22(33)13-30-9-6-25(7-10-30)8-11-31(15-25)23-5-2-18(12-26-23)32-16-27-28-29-32/h2-5,12,16,22,33H,6-11,13-15H2,1H3/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPQVLEXYJOLSAS-QFIPXVFZSA-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: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2