General Information of the Compound
| Compound ID |
CP0471964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-N-(1-(4-chlorophenyl)-3-(dimethylamino)propan-2-yl)-2-ethyl-N-(1,4-dioxaspiro[4.5]decan-8-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37ClN2O3
|
||||||||||||||||||
| Molecular Weight |
485.068
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccccc1C(=O)N(C(CN(C)C)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37ClN2O3/c1-4-22-7-5-6-8-26(22)27(32)31(24-13-15-28(16-14-24)33-17-18-34-28)25(20-30(2)3)19-21-9-11-23(29)12-10-21/h5-12,24-25H,4,13-20H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJERTHKDACYGDN-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