General Information of the Compound
| Compound ID |
CP0484149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27ClN2O4
|
||||||||||||||||||
| Molecular Weight |
430.932
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27ClN2O4/c1-16(27)25-20-4-2-3-5-22(20)29-15-19(28)14-26-10-8-23(9-11-26)13-17-12-18(24)6-7-21(17)30-23/h2-7,12,19,28H,8-11,13-15H2,1H3,(H,25,27)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YPUJWISVZVZVNU-IBGZPJMESA-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