General Information of the Compound
| Compound ID |
CP0536679
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClN3OS
|
||||||||||||||||||
| Molecular Weight |
397.931
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(s1)C(=O)Nc1ccc(cc1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClN3OS/c22-16-3-1-15(2-4-16)19-9-10-20(27-19)21(26)24-17-5-7-18(8-6-17)25-13-11-23-12-14-25/h1-10,23H,11-14H2,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FEMAFCHAYMYMMA-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