General Information of the Compound
| Compound ID |
CP0258425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[4-cyclopropyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N3O3
|
||||||||||||||||||
| Molecular Weight |
445.563
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(-c2ccc(cc2)N2CCNCC2)c1C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N3O3/c1-31-24-14-20(15-25(32-2)27(24)33-3)23-17-29-16-22(26(23)19-4-5-19)18-6-8-21(9-7-18)30-12-10-28-11-13-30/h6-9,14-17,19,28H,4-5,10-13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
INODBUMZBVKPKI-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