General Information of the Compound
| Compound ID |
CP0450215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8629158, 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N4O2
|
||||||||||||||||||
| Molecular Weight |
480.49
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CC3CCC(N3)c2c2ccc(cc12)-n1ccc(OCc2ccc(nc2)C(F)(F)F)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N4O2/c1-32-21-11-17(4-5-19(21)25-20-6-3-16(31-20)10-22(25)32)33-9-8-18(12-24(33)34)35-14-15-2-7-23(30-13-15)26(27,28)29/h2,4-5,7-9,11-13,16,20,31H,3,6,10,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUSVSXJLMUNVPR-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