General Information of the Compound
| Compound ID |
CP0877275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(6-cyanopyridin-3-yl)methyl]-1,3-thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19N7OS
|
||||||||||||||||||
| Molecular Weight |
417.498
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(CNC(=O)c2csc(CCNCc3nc4ccccc4[nH]3)n2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19N7OS/c22-9-15-6-5-14(10-24-15)11-25-21(29)18-13-30-20(28-18)7-8-23-12-19-26-16-3-1-2-4-17(16)27-19/h1-6,10,13,23H,7-8,11-12H2,(H,25,29)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FJEWBFAHRDISHV-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
Protein ID: PT06104, Solute carrier family 40 member 1
Protein ID: PT06354, Solute carrier family 40 member 1