General Information of the Compound
| Compound ID |
CP0906477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzo[b]thiophen-3-yl-3-[1-(4-nitro-2-trifluoromethylphenyl)piperidin-4-ylamino]propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
477.508
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCNC1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)c1csc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N3O3S/c24-23(25,26)19-13-16(29(31)32)5-6-20(19)28-11-8-15(9-12-28)27-10-7-21(30)18-14-33-22-4-2-1-3-17(18)22/h1-6,13-15,27H,7-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QMTZVARKJRJYBY-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