General Information of the Compound
| Compound ID |
CP0545002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409917, 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
351.233
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCNC(=O)C2CCOc3ncccc23)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16Cl2N2O2/c18-12-4-3-11(15(19)10-12)5-8-20-16(22)13-6-9-23-17-14(13)2-1-7-21-17/h1-4,7,10,13H,5-6,8-9H2,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAJVLAUYNLOPNG-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