General Information of the Compound
| Compound ID |
CP0944957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-(Aminomethyl)benzo[b]thiophen-6-yl)-N-phenylpicolinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17N3OS
|
||||||||||||||||||
| Molecular Weight |
359.454
|
||||||||||||||||||
| Canonical SMILES |
NCc1cc2ccc(-c3ccc(C(=O)Nc4ccccc4)nc3)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17N3OS/c22-12-18-10-15-7-6-14(11-20(15)26-18)16-8-9-19(23-13-16)21(25)24-17-4-2-1-3-5-17/h1-11,13H,12,22H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMIKJKNVZDVCKS-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