General Information of the Compound
| Compound ID |
CP0492355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-2-oxospiro[1,3-dihydroquinoline-4,4'-piperidine]-1'-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H43N5O3S
|
||||||||||||||||||
| Molecular Weight |
613.828
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)CC(=O)Nc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H43N5O3S/c41-32-23-35(28-9-3-4-10-29(28)36-32)14-20-40(21-15-35)34(43)37-30(22-25-24-44-31-11-5-2-8-27(25)31)33(42)39-18-12-26(13-19-39)38-16-6-1-7-17-38/h2-5,8-11,24,26,30H,1,6-7,12-23H2,(H,36,41)(H,37,43)/t30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPHSSVHADQDIJG-SSEXGKCCSA-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