General Information of the Compound
| Compound ID |
CP0958111
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(2-(1H-benzo[d]imidazol-2-yl)ethylamino)ethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)thiazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N6OS
|
||||||||||||||||||
| Molecular Weight |
432.553
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2cccnc21)c1csc(CCNCCc2nc3ccccc3[nH]2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N6OS/c30-23(29-18-8-7-15-4-3-11-25-22(15)18)19-14-31-21(28-19)10-13-24-12-9-20-26-16-5-1-2-6-17(16)27-20/h1-6,11,14,18,24H,7-10,12-13H2,(H,26,27)(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJYQJKVPTOYDFZ-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