General Information of the Compound
| Compound ID |
CP0401669
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzyl (S)-2-(3,4-dichloro-phenyl)-4-(spiro[1-benzothiophene-3,4'-piperidinyl])butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31Cl2NO2S
|
||||||||||||||||||
| Molecular Weight |
528.545
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1Cl)[C@H](CCN1CCC2(CS(=O)c3ccccc23)CC1)COCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31Cl2NO2S/c30-26-11-10-23(18-27(26)31)24(20-34-19-22-6-2-1-3-7-22)12-15-32-16-13-29(14-17-32)21-35(33)28-9-5-4-8-25(28)29/h1-11,18,24H,12-17,19-21H2/t24-,35?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CBMMNOSYXCNURZ-YAYCPNDQSA-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