General Information of the Compound
| Compound ID |
CP0903140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-{[2-(1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-1,3-oxazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21FN6O2
|
||||||||||||||||||
| Molecular Weight |
408.437
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCc1ncccc1F)c1cnc(CCNCCc2nc3ccccc3[nH]2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-26-21(29)18-13-25-20(30-18)8-11-23-10-7-19-27-15-5-1-2-6-16(15)28-19/h1-6,9,13,23H,7-8,10-12H2,(H,26,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAAKEJBSOKSMGL-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