General Information of the Compound
| Compound ID |
CP0530586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(4-chlorophenyl)methyl]-2-[4- (1H-tetrazol-5-yl)pyridin-2- yl]pyrazol-3-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C16H12ClN7O
|
||||||||||||||||||
| Molecular Weight |
353.773
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(Cc2ccc(Cl)cc2)nn1-c1cc(ccn1)-c1nn[nH]n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12ClN7O/c17-12-3-1-10(2-4-12)7-13-9-15(25)24(21-13)14-8-11(5-6-18-14)16-19-22-23-20-16/h1-6,8-9,25H,7H2,(H,19,20,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KGEBIPZLKBPXBD-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 | |||||||||||||||||||
| 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: PT02979, Lysine-specific demethylase 4C
Protein ID: PT03382, Lysine-specific demethylase 5B