General Information of the Compound
| Compound ID |
CP0496829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-N-(3-{2,3-dihydrospiro[indene-1,4'-piperidine]-1'-yl}propyl)-4-(4-methylphenyl)-4-oxobut-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O2
|
||||||||||||||||||
| Molecular Weight |
416.565
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C(=O)\C=C\C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N2O2/c1-21-7-9-23(10-8-21)25(30)11-12-26(31)28-17-4-18-29-19-15-27(16-20-29)14-13-22-5-2-3-6-24(22)27/h2-3,5-12H,4,13-20H2,1H3,(H,28,31)/b12-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
STMKLDNLUFXSTR-VAWYXSNFSA-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