General Information of the Compound
| Compound ID |
CP0156817
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[N-benzyl-4-(trifluoromethyl)anilino]-1-methylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N3O
|
||||||||||||||||||
| Molecular Weight |
427.47
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O/c1-28-17-21(15-22(28)23(31)29-13-5-6-14-29)30(16-18-7-3-2-4-8-18)20-11-9-19(10-12-20)24(25,26)27/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSKLDJRIBICHHV-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