General Information of the Compound
| Compound ID |
CP0191659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[6-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]pyridin-2-yl]methyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20ClN5O4S2
|
||||||||||||||||||
| Molecular Weight |
506.009
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(C)=O)n3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20ClN5O4S2/c1-13(28)23-11-14-5-3-6-15(24-14)12-27-16-7-4-8-17(31-2)20(16)21(25-27)26-33(29,30)19-10-9-18(22)32-19/h3-10H,11-12H2,1-2H3,(H,23,28)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWOGDPOCLAMQHQ-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