General Information of the Compound
| Compound ID |
CP0477690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-chloro-6-fluorophenyl)-7,7-dimethyl-11-[2-[2-(trifluoromethyl)phenyl]ethynyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,10,12-pentaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H16ClF4N3O
|
||||||||||||||||||
| Molecular Weight |
497.879
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2nc(ccc2-c2nc([nH]c12)-c1c(F)cccc1Cl)C#Cc1ccccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H16ClF4N3O/c1-25(2)22-21(33-23(34-22)20-18(27)8-5-9-19(20)28)16-13-12-15(32-24(16)35-25)11-10-14-6-3-4-7-17(14)26(29,30)31/h3-9,12-13H,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALLZJWVDQQKNTA-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