General Information of the Compound
| Compound ID |
CP0552454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-6-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H31F3N4O3
|
||||||||||||||||||
| Molecular Weight |
552.597
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4CC(=O)Nc4c3)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-22-6-5-21(14-25(22)30(31,32)33)29(39)34-23-8-4-19(2)27(16-23)40-24-9-7-20-15-28(38)35-26(20)17-24/h4-9,14,16-17H,3,10-13,15,18H2,1-2H3,(H,34,39)(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKFMTXNSVAERNK-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 | |||||||||||||||||||