General Information of the Compound
| Compound ID |
CP0551123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8987473, 132
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
362.26
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(N)=O)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17Cl2N3O/c1-11-13-7-5-12(6-8-18(21)24)9-17(13)23(22-11)10-14-15(19)3-2-4-16(14)20/h2-5,7,9H,6,8,10H2,1H3,(H2,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDGPTJQLYSGPNO-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