General Information of the Compound
| Compound ID |
CP0192971
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(2-methoxy-phenoxy)-benzyl]-4-[(4-phenyl-piperidine-4-carbonyl)-amino]-piperidine-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37N3O5
|
||||||||||||||||||
| Molecular Weight |
543.664
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1Oc1cccc(CN2CCC(CC2)(NC(=O)C2(CCNCC2)c2ccccc2)C(O)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37N3O5/c1-39-27-12-5-6-13-28(27)40-26-11-7-8-24(22-26)23-35-20-16-32(17-21-35,30(37)38)34-29(36)31(14-18-33-19-15-31)25-9-3-2-4-10-25/h2-13,22,33H,14-21,23H2,1H3,(H,34,36)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUFFUEHRXNGQLP-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
Protein ID: PT03816, C-C chemokine receptor type 8
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2