General Information of the Compound
| Compound ID |
CP0559097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-ethyl-2-[(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]-1-(4,4,4-trifluorobutyl)benzimidazole-5-carboximidamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25F4N5O
|
||||||||||||||||||
| Molecular Weight |
487.501
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=N)c1ccc2n(CCCC(F)(F)F)c(CN3C(=O)C4(CC4)c4ccc(F)cc34)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F4N5O/c1-2-31-22(30)15-4-7-19-18(12-15)32-21(33(19)11-3-8-25(27,28)29)14-34-20-13-16(26)5-6-17(20)24(9-10-24)23(34)35/h4-7,12-13H,2-3,8-11,14H2,1H3,(H2,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHYCMKIVZSOJDH-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