General Information of the Compound
| Compound ID |
CP0536170
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL403918
Show/Hide
|
||||||||||||||||||
| Formula |
C22H31F2N3O2
|
||||||||||||||||||
| Molecular Weight |
407.505
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CCC(CC1)N(C)C(=O)N[C@H]1CC[C@@H](CC1)c1cc(F)cc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31F2N3O2/c1-3-21(28)27-10-8-20(9-11-27)26(2)22(29)25-19-6-4-15(5-7-19)16-12-17(23)14-18(24)13-16/h12-15,19-20H,3-11H2,1-2H3,(H,25,29)/t15-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCVVDSNZIIIFBE-RHDGDCLCSA-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