General Information of the Compound
| Compound ID |
CP0458854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[2-(2-methoxyphenyl)-1-pyridin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24N4O4
|
||||||||||||||||||
| Molecular Weight |
408.458
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1nc(cn1-c1ccncc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N4O4/c1-14(2)12-17(22(28)29)25-21(27)18-13-26(15-8-10-23-11-9-15)20(24-18)16-6-4-5-7-19(16)30-3/h4-11,13-14,17H,12H2,1-3H3,(H,25,27)(H,28,29)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SANYNPPMPGHFIK-KRWDZBQOSA-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