General Information of the Compound
| Compound ID |
CP0496817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-fluoro-4-methyl-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18FN3O
|
||||||||||||||||||
| Molecular Weight |
275.327
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2c(C)c(F)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18FN3O/c1-10-11-9-14(17-13(11)4-3-12(10)16)15(20)19-7-5-18(2)6-8-19/h3-4,9,17H,5-8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GOYDDUNORRGDIP-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