General Information of the Compound
| Compound ID |
CP0458562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-chloro-6-fluorophenyl)-4,4-dimethyl-7-[2-[5-(trifluoromethyl)pyridin-2-yl]ethynyl]-3H-chromeno[3,4-d]imidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H16ClF4N3O
|
||||||||||||||||||
| Molecular Weight |
497.879
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2cc(ccc2-c2nc([nH]c12)-c1c(F)cccc1Cl)C#Cc1ccc(cn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H16ClF4N3O/c1-25(2)23-22(33-24(34-23)21-18(27)4-3-5-19(21)28)17-11-7-14(12-20(17)35-25)6-9-16-10-8-15(13-32-16)26(29,30)31/h3-5,7-8,10-13H,1-2H3,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVTMYMJGYIILDE-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