General Information of the Compound
| Compound ID |
CP0411560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]-4-(5-iodo-1H-triazol-4-yl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H11Cl2IN6
|
||||||||||||||||||
| Molecular Weight |
497.127
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(Cn2cnc(c2)-c2cc(ccn2)-c2nn[nH]c2I)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H11Cl2IN6/c18-12-3-1-2-11(15(12)19)7-26-8-14(22-9-26)13-6-10(4-5-21-13)16-17(20)24-25-23-16/h1-6,8-9H,7H2,(H,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJZSHAPRNVEXAD-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
Protein ID: PT02548, Histone lysine demethylase PHF8
Protein ID: PT03776, Lysine-specific demethylase 2B