General Information of the Compound
| Compound ID |
CP0086159
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 171
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN6O
|
||||||||||||||||||
| Molecular Weight |
406.465
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cc(F)ccc1-c1cc[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN6O/c1-13-9-14(2)26-22(25-13)29-11-15-6-8-28(12-20(15)29)21(30)18-10-16(23)3-4-17(18)19-5-7-24-27-19/h3-5,7,9-10,15,20H,6,8,11-12H2,1-2H3,(H,24,27)/t15-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZXSLNZHHPKYQK-YWZLYKJASA-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