General Information of the Compound
| Compound ID |
CP0010035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N2O3
|
||||||||||||||||||
| Molecular Weight |
354.45
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O3/c1-14-10-15(2)12-17(11-14)20(25)23(21(3,4)5)22-19(24)16-8-7-9-18(13-16)26-6/h7-13H,1-6H3,(H,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMVHARKWMABWRW-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT06098, Ecdysone receptor