General Information of the Compound
| Compound ID |
CP0487598
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[2-(naphthalen-1-ylmethyl)-3-sulfanylpropanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H36ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
626.222
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)Cc2cccc3ccccc23)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H36ClN3O3S/c1-2-3-15-33-39-34(37)32(21-38-35(41)28(23-44)20-27-11-8-10-25-9-4-5-12-29(25)27)40(33)22-24-16-18-26(19-17-24)30-13-6-7-14-31(30)36(42)43/h4-14,16-19,28,44H,2-3,15,20-23H2,1H3,(H,38,41)(H,42,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XHAYUYYNXCLCFY-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