General Information of the Compound
| Compound ID |
CP0206984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2OS
|
||||||||||||||||||
| Molecular Weight |
298.411
|
||||||||||||||||||
| Canonical SMILES |
CCN(Cc1cccs1)C(=O)c1cc2cc(C)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2OS/c1-3-19(11-14-5-4-8-21-14)17(20)16-10-13-9-12(2)6-7-15(13)18-16/h4-10,18H,3,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XNYMKKMAWDKFGP-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