General Information of the Compound
| Compound ID |
CP0563701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-quinolin-3-ylpropan-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20F4N4O2
|
||||||||||||||||||
| Molecular Weight |
508.475
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cnc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20F4N4O2/c1-16(34-26(36)27(29,30)31)25(19-12-17-4-2-3-5-23(17)32-14-19)37-22-10-11-24-18(13-22)15-33-35(24)21-8-6-20(28)7-9-21/h2-16,25H,1H3,(H,34,36)/t16-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUJJKQLZSGDFSD-LMKMVOKYSA-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