General Information of the Compound
| Compound ID |
CP0541085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(hydroxymethyl)-N-[3-pyridin-3-yl-5-(trifluoromethoxy)phenyl]-2,3-dihydroindole-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F3N3O3
|
||||||||||||||||||
| Molecular Weight |
429.398
|
||||||||||||||||||
| Canonical SMILES |
OCc1ccc2CCN(C(=O)Nc3cc(OC(F)(F)F)cc(c3)-c3cccnc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F3N3O3/c23-22(24,25)31-19-10-17(16-2-1-6-26-12-16)9-18(11-19)27-21(30)28-7-5-15-4-3-14(13-29)8-20(15)28/h1-4,6,8-12,29H,5,7,13H2,(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFHOIYUJAZHNPK-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