General Information of the Compound
| Compound ID |
CP0149073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-difluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(6-methoxypyridin-3-yl)-3-phenylpropan-2-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27F3N4O3
|
||||||||||||||||||
| Molecular Weight |
560.576
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](Cc1ccccc1)NC(=O)C(C)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27F3N4O3/c1-31(33,34)30(39)37-26(16-20-6-4-3-5-7-20)29(21-8-15-28(40-2)35-18-21)41-25-13-14-27-22(17-25)19-36-38(27)24-11-9-23(32)10-12-24/h3-15,17-19,26,29H,16H2,1-2H3,(H,37,39)/t26-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYYHTGWCKHBJON-LITSAYRRSA-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