General Information of the Compound
| Compound ID |
CP0445025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(3-fluoro-4-methoxyphenyl)-2-heptan-4-yl-10-methyl-2,7,9-triazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30FN3O
|
||||||||||||||||||
| Molecular Weight |
395.522
|
||||||||||||||||||
| Canonical SMILES |
CCCC(CCC)n1cc2CCN(c3ccc(OC)c(F)c3)c3nc(C)cc1c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30FN3O/c1-5-7-18(8-6-2)28-15-17-11-12-27(19-9-10-22(29-4)20(25)14-19)24-23(17)21(28)13-16(3)26-24/h9-10,13-15,18H,5-8,11-12H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISRRVJLUIKXJQL-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