General Information of the Compound
| Compound ID |
CP0732200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-3-(3-((3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinolin-5-ylamino)methyl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29F3N6O
|
||||||||||||||||||
| Molecular Weight |
486.542
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)Nc1cccc(CNc2cc(C(F)(F)F)cc3ncc(N4CCN(C)CC4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29F3N6O/c1-3-29-24(35)32-19-6-4-5-17(11-19)15-30-22-12-18(25(26,27)28)13-23-21(22)14-20(16-31-23)34-9-7-33(2)8-10-34/h4-6,11-14,16,30H,3,7-10,15H2,1-2H3,(H2,29,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUKYLPYIYFELMJ-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