General Information of the Compound
| Compound ID |
CP0401736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(5-chloro-1H-triazol-4-yl)-2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18ClFN6O
|
||||||||||||||||||
| Molecular Weight |
424.867
|
||||||||||||||||||
| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18ClFN6O/c1-29-11-25-19(16-8-13(6-7-24-16)18-21(22)27-28-26-18)20(29)15-5-4-14(23)9-17(15)30-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQSAHNHNKGGKPW-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