General Information of the Compound
| Compound ID |
CP0469279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-8H-pyrrolo[3,4-g]quinolin-7-yl]phenyl]methyl]cyclopropyl]-3-naphthalen-2-ylsulfonylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H30F6N4O6S
|
||||||||||||||||||
| Molecular Weight |
772.724
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC2(CC2)NC(=O)NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1Cc2c(C1=O)c(OCC(F)(F)F)c1cccnc1c2OCC(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H30F6N4O6S/c1-21-15-22(17-35(12-13-35)45-34(49)46-54(50,51)25-10-9-23-5-2-3-6-24(23)16-25)8-11-28(21)47-18-27-29(33(47)48)31(52-19-36(38,39)40)26-7-4-14-44-30(26)32(27)53-20-37(41,42)43/h2-11,14-16H,12-13,17-20H2,1H3,(H2,45,46,49)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IISIFOJBGUAWEZ-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