General Information of the Compound
| Compound ID |
CP0467034
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H38N4O3
|
||||||||||||||||||
| Molecular Weight |
466.626
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1CN(CC(NC(=O)CN1CCN(CC1)c1ccccc1)C(C)C)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N4O3/c1-21(2)25(19-31(22(3)32)18-23-10-8-9-13-26(23)34-4)28-27(33)20-29-14-16-30(17-15-29)24-11-6-5-7-12-24/h5-13,21,25H,14-20H2,1-4H3,(H,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXYPBTBWDFNBKC-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