General Information of the Compound
| Compound ID |
CP0392390
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-{4-[4-(4-Cyano-3,5-difluoro-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23F2N5
|
||||||||||||||||||
| Molecular Weight |
419.479
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(cc(F)c1C#N)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F2N5/c25-22-12-19(13-23(26)21(22)15-28)31-9-7-30(8-10-31)6-2-1-3-18-16-29-24-5-4-17(14-27)11-20(18)24/h4-5,11-13,16,29H,1-3,6-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YYTDBPXQJHNOKZ-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