General Information of the Compound
| Compound ID |
CP0198577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2-butyl-4-chloro-5-[[[3-methyl-2-(sulfanylmethyl)butanoyl]amino]methyl]imidazol-1-yl]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
528.118
|
||||||||||||||||||
| Canonical SMILES |
CCCCc1nc(Cl)c(CNC(=O)C(CS)C(C)C)n1Cc1ccc(cc1)-c1ccccc1C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34ClN3O3S/c1-4-5-10-25-31-26(29)24(15-30-27(33)23(17-36)18(2)3)32(25)16-19-11-13-20(14-12-19)21-8-6-7-9-22(21)28(34)35/h6-9,11-14,18,23,36H,4-5,10,15-17H2,1-3H3,(H,30,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUZOLBHJHNCZND-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