General Information of the Compound
| Compound ID |
CP0433624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[2-(2,3-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]quinoline-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2N3OS
|
||||||||||||||||||
| Molecular Weight |
446.403
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(SCCN2CCC(C2)NC(=O)c2ccc3ccccc3n2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N3OS/c23-17-5-3-7-20(21(17)24)29-13-12-27-11-10-16(14-27)25-22(28)19-9-8-15-4-1-2-6-18(15)26-19/h1-9,16H,10-14H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FUOKCOLCLIHXST-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