General Information of the Compound
| Compound ID |
CP0924798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-(2-(dip-tolylmethylsulfinyl)ethyl)piperidine-3-carboxylic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30ClNO3S
|
||||||||||||||||||
| Molecular Weight |
436.017
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C(c2ccc(C)cc2)[S+]([O-])CCN2CCC[C@@H](C(=O)O)C2)cc1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29NO3S.ClH/c1-17-5-9-19(10-6-17)22(20-11-7-18(2)8-12-20)28(27)15-14-24-13-3-4-21(16-24)23(25)26;/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,25,26);1H/t21-,28?;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGNLEZMWRLFYHX-WALZJQOOSA-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