General Information of the Compound
| Compound ID |
CP0903129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{2-[(1H-1,3-Benzodiazol-2-ylmethyl)amino]ethyl}-N-[(3-fluoropyridin-2-yl)methyl]-1H-1,2,4-triazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19FN8O
|
||||||||||||||||||
| Molecular Weight |
394.414
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ncccc1F)c1ncn(CCNCc2nc3ccccc3[nH]2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19FN8O/c20-13-4-3-7-22-16(13)10-23-19(29)18-24-12-28(27-18)9-8-21-11-17-25-14-5-1-2-6-15(14)26-17/h1-7,12,21H,8-11H2,(H,23,29)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZFXRBFSICMMIY-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