General Information of the Compound
| Compound ID |
CP0401001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((1R,4R)-4-((R)-1-(4-methoxyphenyl)ethylamino)-2,2-dimethylcyclohexyl)(4-(6-methoxypyridin-3-yl)-4-phenylpiperidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H45N3O3
|
||||||||||||||||||
| Molecular Weight |
555.763
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)N[C@@H]1CC[C@@H](C(=O)N2CCC(CC2)(c2ccccc2)c2ccc(OC)nc2)C(C)(C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45N3O3/c1-25(26-11-15-30(40-4)16-12-26)37-29-14-17-31(34(2,3)23-29)33(39)38-21-19-35(20-22-38,27-9-7-6-8-10-27)28-13-18-32(41-5)36-24-28/h6-13,15-16,18,24-25,29,31,37H,14,17,19-23H2,1-5H3/t25-,29-,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMLLGYNPXKUHEX-ICTSCBFQSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00871, Sodium-dependent serotonin transporter