General Information of the Compound
| Compound ID |
CP0569863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-chloro-2-(5-phenyl-1H-imidazol-2-yl)phenyl]-5-[[(1R)-1-phenylbutyl]carbamoyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
550.058
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1cc(Cl)ccc1-c1ncc([nH]1)-c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H28ClN3O3/c1-2-9-29(21-10-5-3-6-11-21)37-32(38)23-14-16-25(28(18-23)33(39)40)27-19-24(34)15-17-26(27)31-35-20-30(36-31)22-12-7-4-8-13-22/h3-8,10-20,29H,2,9H2,1H3,(H,35,36)(H,37,38)(H,39,40)/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCPVMJBGFUIKDC-GDLZYMKVSA-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