General Information of the Compound
| Compound ID |
CP0346172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-isopropylpiperazin-1-yl)(3-(piperidin-1-ylmethyl)benzo[b]thiophen-5-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H31N3OS
|
||||||||||||||||||
| Molecular Weight |
385.577
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)c1ccc2scc(CN3CCCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H31N3OS/c1-17(2)24-10-12-25(13-11-24)22(26)18-6-7-21-20(14-18)19(16-27-21)15-23-8-4-3-5-9-23/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWCHGRVBHMGDLZ-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