General Information of the Compound
Compound ID |
CP0573749
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
15-fluoro-4-[2-(trifluoromethyl)phenyl]-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C21H11F4N3O
|
||||||||||||||||||
Molecular Weight |
397.331
|
||||||||||||||||||
Canonical SMILES |
Fc1ccc2c3nc([nH]c3c3cc[nH]c(=O)c3c2c1)-c1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C21H11F4N3O/c22-10-5-6-11-14(9-10)16-13(7-8-26-20(16)29)18-17(11)27-19(28-18)12-3-1-2-4-15(12)21(23,24)25/h1-9H,(H,26,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
InChIKey |
MAMAXAVBDDWYKF-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