General Information of the Compound
| Compound ID |
CP0393680
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4,5-difluoro-1H-indol-3-yl)methyl]-4,5-difluoro-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10F4N2
|
||||||||||||||||||
| Molecular Weight |
318.273
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]cc(Cc3c[nH]c4ccc(F)c(F)c34)c2c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10F4N2/c18-10-1-3-12-14(16(10)20)8(6-22-12)5-9-7-23-13-4-2-11(19)17(21)15(9)13/h1-4,6-7,22-23H,5H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LDRUIKJRACNPMH-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