General Information of the Compound
| Compound ID |
CP0202740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(2S)-2-(1,6-dimethylbenzimidazol-2-yl)-2-[2,5-dioxo-3-(4-phenoxyphenyl)imidazolidin-1-yl]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H29N5O4
|
||||||||||||||||||
| Molecular Weight |
559.626
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc([C@H](Cc3ccc(cc3)C(N)=O)N3C(=O)CN(C3=O)c3ccc(Oc4ccccc4)cc3)n(C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H29N5O4/c1-21-8-17-27-28(18-21)36(2)32(35-27)29(19-22-9-11-23(12-10-22)31(34)40)38-30(39)20-37(33(38)41)24-13-15-26(16-14-24)42-25-6-4-3-5-7-25/h3-18,29H,19-20H2,1-2H3,(H2,34,40)/t29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRAFAKVFEYICMM-LJAQVGFWSA-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
Protein ID: PT01286, Bile acid receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000148 | Huh-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|