General Information of the Compound
| Compound ID |
CP0008114
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[7-[2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]ethylamino]-1,3-dihydro-2-benzofuran-5-yl]-2-methoxypyridin-3-yl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N4O5S
|
||||||||||||||||||
| Molecular Weight |
504.653
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N4O5S/c1-25(2,30)20-5-8-29(9-6-20)10-7-26-22-12-17(11-19-15-34-16-21(19)22)18-13-23(28-35(4,31)32)24(33-3)27-14-18/h11-14,20,26,28,30H,5-10,15-16H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAOWUAJTUYXEDU-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