General Information of the Compound
| Compound ID |
CP0542955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8975261, I-36
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O3
|
||||||||||||||||||
| Molecular Weight |
392.459
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(C)c(C)nc1-c1cncc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O3/c1-13-14(2)26-22(21(25-13)15-7-18(28-4)10-23-9-15)29-12-16-8-19(16)20-6-5-17(27-3)11-24-20/h5-7,9-11,16,19H,8,12H2,1-4H3/t16-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWTSGLRGJLFIKB-APWZRJJASA-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