General Information of the Compound
| Compound ID |
CP0521678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 50
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H22F4N4O2
|
||||||||||||||||||
| Molecular Weight |
546.524
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C1=C(C(=O)Nc2ccc(F)cc2)C(=O)NC(C1)(c1ccc(cc1)-c1cnccn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H22F4N4O2/c1-18-2-4-19(5-3-18)24-16-29(30(32,33)34,21-8-6-20(7-9-21)25-17-35-14-15-36-25)38-28(40)26(24)27(39)37-23-12-10-22(31)11-13-23/h2-15,17H,16H2,1H3,(H,37,39)(H,38,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAEUUTVRYFJDEM-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