General Information of the Compound
| Compound ID |
CP0447787
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[acetyl-[(2-methoxyphenyl)methyl]amino]-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N4O3
|
||||||||||||||||||
| Molecular Weight |
500.643
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN(CC(NC(=O)CN1CCN(CC1)c1ccccc1)c1ccccc1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N4O3/c1-24(35)34(21-26-13-9-10-16-29(26)37-2)22-28(25-11-5-3-6-12-25)31-30(36)23-32-17-19-33(20-18-32)27-14-7-4-8-15-27/h3-16,28H,17-23H2,1-2H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZARWJSGCHUURQL-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