General Information of the Compound
| Compound ID |
CP0360980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-4-(naphthalen-1-ylmethyl)piperazin-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31N7O3
|
||||||||||||||||||
| Molecular Weight |
561.646
|
||||||||||||||||||
| Canonical SMILES |
O=C(CC1CN(Cc2cccc3ccccc23)CCN1c1ccnc(n1)-n1ccnc1)NCc1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31N7O3/c40-31(35-18-23-8-9-28-29(16-23)42-22-41-28)17-26-20-37(19-25-6-3-5-24-4-1-2-7-27(24)25)14-15-39(26)30-10-11-34-32(36-30)38-13-12-33-21-38/h1-13,16,21,26H,14-15,17-20,22H2,(H,35,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSHZHZBGDQDOAU-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