General Information of the Compound
| Compound ID |
CP0575638
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9062059, 2-14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N6O2
|
||||||||||||||||||
| Molecular Weight |
380.452
|
||||||||||||||||||
| Canonical SMILES |
COc1cccnc1[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N6O2/c1-13-24-18(22-9-14-10-23-26(2)11-14)8-19(25-13)28-12-15-7-16(15)20-17(27-3)5-4-6-21-20/h4-6,8,10-11,15-16H,7,9,12H2,1-3H3,(H,22,24,25)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYOKKXWVFCGTBY-CVEARBPZSA-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