General Information of the Compound
| Compound ID |
CP0512198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653125, Ia-2
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21F2N5O2
|
||||||||||||||||||
| Molecular Weight |
425.439
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(n1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)Nc1ccn(n1)-c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21F2N5O2/c23-16-4-1-2-6-18(16)29-13-12-20(28-29)27-21(30)14-8-10-15(11-9-14)25-22(31)17-5-3-7-19(24)26-17/h1-7,12-15H,8-11H2,(H,25,31)(H,27,28,30)/t14-,15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQIKJQQQDIIXLP-GASCZTMLSA-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 | |||||||||||||||||||
| 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