General Information of the Compound
| Compound ID |
CP0306750
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2-Amino-6-methyl-phenyl)-{4-[(4-bromo-phenyl)-methoxyimino-methyl]-4'-methyl-[1,4']bipiperidinyl-1'-yl}-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35BrN4O2
|
||||||||||||||||||
| Molecular Weight |
527.507
|
||||||||||||||||||
| Canonical SMILES |
CO\N=C(\C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cccc1N)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35BrN4O2/c1-19-5-4-6-23(29)24(19)26(33)31-17-13-27(2,14-18-31)32-15-11-21(12-16-32)25(30-34-3)20-7-9-22(28)10-8-20/h4-10,21H,11-18,29H2,1-3H3/b30-25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIGNOFGQWWUQJS-QCWLDUFUSA-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