General Information of the Compound
| Compound ID |
CP0192718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8-Bromo-10,11-dihydro-5-oxa-2,4,11-triaza-dibenzo[a,d]cyclohepten-1-yl)-(3-chloro-4-fluoro-phenyl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11BrClFN4O
|
||||||||||||||||||
| Molecular Weight |
421.657
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Nc2ncnc3Oc4ccc(Br)cc4CNc23)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11BrClFN4O/c18-10-1-4-14-9(5-10)7-21-15-16(22-8-23-17(15)25-14)24-11-2-3-13(20)12(19)6-11/h1-6,8,21H,7H2,(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RXSWGOQRLDFWFT-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