General Information of the Compound
| Compound ID |
CP0483236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 316
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22FN7
|
||||||||||||||||||
| Molecular Weight |
391.454
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc(c1N1CCC(N)CC1)-c1cc2n(ncc2cn1)-c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22FN7/c1-27-21(28-8-6-15(23)7-9-28)16(13-25-27)18-10-20-14(11-24-18)12-26-29(20)19-5-3-2-4-17(19)22/h2-5,10-13,15H,6-9,23H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKASJUOAZZSCTR-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