General Information of the Compound
| Compound ID |
CP0551231
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-chloro-4-fluoro-benzyl)-(7,8-dimethoxy-10,11-dihydro-5H-2,4,5,11-tetraaza-dibenzo[a,d]cyclohepten-1-yl)-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
415.856
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CNc3c(NCc4ccc(F)c(Cl)c4)ncnc3Nc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClFN5O2/c1-28-16-6-12-9-23-18-19(24-8-11-3-4-14(22)13(21)5-11)25-10-26-20(18)27-15(12)7-17(16)29-2/h3-7,10,23H,8-9H2,1-2H3,(H2,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAMSEIYEHHABIH-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