General Information of the Compound
| Compound ID |
CP0163624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,5S)-3,5-dimethyl-1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O3
|
||||||||||||||||||
| Molecular Weight |
447.579
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1C[C@H](C)N[C@H](C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O3/c1-17-15-30(16-18(2)29-17)22-9-7-20(8-10-22)23-13-28-14-24(19(23)3)21-11-25(31-4)27(33-6)26(12-21)32-5/h7-14,17-18,29H,15-16H2,1-6H3/t17-,18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPZNNVBZIMEQNF-HDICACEKSA-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