General Information of the Compound
| Compound ID |
CP0507912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[3,5-bis(trifluoromethyl)phenyl]-1-octylindol-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F6N2O
|
||||||||||||||||||
| Molecular Weight |
498.511
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCn1cc(CC(N)=O)c2cc(ccc12)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F6N2O/c1-2-3-4-5-6-7-10-34-16-19(14-24(33)35)22-13-17(8-9-23(22)34)18-11-20(25(27,28)29)15-21(12-18)26(30,31)32/h8-9,11-13,15-16H,2-7,10,14H2,1H3,(H2,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCSOHJIJXCWZHQ-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