General Information of the Compound
| Compound ID |
CP0564126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C16H12F4N4O
|
||||||||||||||||||
| Molecular Weight |
352.291
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc2c3CN(CCc3[nH]c12)C(=O)c1cc([nH]n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12F4N4O/c17-10-3-1-2-8-9-7-24(5-4-11(9)21-14(8)10)15(25)12-6-13(23-22-12)16(18,19)20/h1-3,6,21H,4-5,7H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVOVWGNLEKEAOX-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 | |||||||||||||||||||
| 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