General Information of the Compound
| Compound ID |
CP0475814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-chloro-7-fluoro-1H-indol-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H17ClFN3O
|
||||||||||||||||||
| Molecular Weight |
309.772
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCN(CC1)C(=O)c1cc2cc(Cl)cc(F)c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17ClFN3O/c1-19-3-2-4-20(6-5-19)15(21)13-8-10-7-11(16)9-12(17)14(10)18-13/h7-9,18H,2-6H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCBUMKUXFYYSIA-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