General Information of the Compound
| Compound ID |
CP0274946
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-amino-3,5-dichloro-phenyl)-(2-aza-tricyclo[3.3.1.1*3,7*]dec-2-yl)-methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18Cl2N2O
|
||||||||||||||||||
| Molecular Weight |
325.239
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)C(=O)N1C2CC3CC(C2)CC1C3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18Cl2N2O/c17-13-6-10(7-14(18)15(13)19)16(21)20-11-2-8-1-9(4-11)5-12(20)3-8/h6-9,11-12H,1-5,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOEHKTBKVZANJD-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