General Information of the Compound
| Compound ID |
CP0893504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cis-2-(5-chlorobenzo[b]thiophen-3-yl)-1-(4-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29ClN2OS
|
||||||||||||||||||
| Molecular Weight |
453.051
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](c2ccccc2)C[C@@H]1CN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29ClN2OS/c27-22-8-9-25-24(16-22)21(18-31-25)15-26(30)29-13-10-20(19-6-2-1-3-7-19)14-23(29)17-28-11-4-5-12-28/h1-3,6-9,16,18,20,23H,4-5,10-15,17H2/t20-,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZRGMSXVRJQDCT-NZQKXSOJSA-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