General Information of the Compound
| Compound ID |
CP0441278
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5-(4-methoxyphenyl)-4-o-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H29N5O2
|
||||||||||||||||||
| Molecular Weight |
515.617
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1C)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H29N5O2/c1-22-7-3-5-9-27(22)30-28(23-11-13-26(39-2)14-12-23)21-34-31(35-30)32(38)37-17-15-36(16-18-37)25-19-24-8-4-6-10-29(24)33-20-25/h3-14,19-21H,15-18H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTNKGNXEPXRJPM-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