General Information of the Compound
| Compound ID |
CP0512184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-chloro-5-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
439.968
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClN3O2S/c1-16-5-2-3-6-20(16)26-10-12-27(13-11-26)23(29)17-8-9-18(24)19(15-17)25-22(28)21-7-4-14-30-21/h2-9,14-15H,10-13H2,1H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLKPIAODISVZGF-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