General Information of the Compound
| Compound ID |
CP0507165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 30
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22FN7O
|
||||||||||||||||||
| Molecular Weight |
407.453
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)nc(n1)N1CC2CCN(CC12)C(=O)c1ccc(F)cc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22FN7O/c1-13-9-14(2)26-21(25-13)28-11-15-5-8-27(12-19(15)28)20(30)17-4-3-16(22)10-18(17)29-23-6-7-24-29/h3-4,6-7,9-10,15,19H,5,8,11-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVCRFRYMKXDRPT-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