General Information of the Compound
| Compound ID |
CP0479097
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-(3-methoxyphenyl)-6-p-tolylpyridin-2-yl)(4-(naphthalen-2-yl)piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H31N3O2
|
||||||||||||||||||
| Molecular Weight |
513.641
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc(nc1-c1ccc(C)cc1)C(=O)N1CCN(CC1)c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H31N3O2/c1-24-10-12-26(13-11-24)33-31(28-8-5-9-30(23-28)39-2)16-17-32(35-33)34(38)37-20-18-36(19-21-37)29-15-14-25-6-3-4-7-27(25)22-29/h3-17,22-23H,18-21H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRBYTNUSHYIWDT-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