General Information of the Compound
| Compound ID |
CP0452699
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-(2-morpholin-4-ylethyl)-4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N3O4S
|
||||||||||||||||||
| Molecular Weight |
463.559
|
||||||||||||||||||
| Canonical SMILES |
Nc1cc(ccc1C(=O)NCCN1CCOCC1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O4S/c26-21-14-17(2-4-20(21)24(29)27-7-8-28-9-11-31-12-10-28)23-6-5-22(33-23)16-1-3-19-18(13-16)15-32-25(19)30/h1-6,13-14H,7-12,15,26H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZKCPVVYGGSXAAO-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