General Information of the Compound
| Compound ID |
CP0567701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-6-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36BrN3O3S
|
||||||||||||||||||
| Molecular Weight |
634.64
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1ccc2cc(sc2c1)C(=O)NC1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36BrN3O3S/c1-39-29-5-3-2-4-27(29)23-7-8-24-20-32(41-31(24)19-23)33(38)36-25-12-16-37(17-13-25)21-22-6-9-30(28(34)18-22)40-26-10-14-35-15-11-26/h2-9,18-20,25-26,35H,10-17,21H2,1H3,(H,36,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIPJULDLWDBUEP-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