General Information of the Compound
| Compound ID |
CP0528840
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Bis-trifluoromethyl-benzyl)-3-(1H-indol-3-ylmethyl)-piperazine-2,5-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H17F6N3O2
|
||||||||||||||||||
| Molecular Weight |
469.385
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(CN2CC(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17F6N3O2/c23-21(24,25)14-5-12(6-15(8-14)22(26,27)28)10-31-11-19(32)30-18(20(31)33)7-13-9-29-17-4-2-1-3-16(13)17/h1-6,8-9,18,29H,7,10-11H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTSMGYUOSWQEGE-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