General Information of the Compound
| Compound ID |
CP0386451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(2,4-dichlorophenyl)adamantane-1-carbohydrazide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
339.266
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20Cl2N2O/c18-13-1-2-15(14(19)6-13)20-21-16(22)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONRURMYURNEGTK-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7