General Information of the Compound
| Compound ID |
CP0049794
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4aS,12bS)-11-(trifluoromethyl)-2,3,4,4a,5,6,8,12b-octahydro-1H-pyrido[3,2-b]phenanthridin-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17F3N2O
|
||||||||||||||||||
| Molecular Weight |
322.33
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17F3N2O/c18-17(19,20)13-6-16(23)22-15-7-14-11(5-12(13)15)10-4-2-1-3-9(10)8-21-14/h5-7,9-10,21H,1-4,8H2,(H,22,23)/t9-,10+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMVSJZUUGDCVTI-ZJUUUORDSA-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