General Information of the Compound
Compound ID |
CP0469454
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-(2,4-dichlorophenyl)-5-[4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C26H26Cl2N4O2
|
||||||||||||||||||
Molecular Weight |
497.426
|
||||||||||||||||||
Canonical SMILES |
Cc1c(nn(c1-c1ccc(cc1)C#CCCO)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C26H26Cl2N4O2/c1-18-24(26(34)30-31-14-4-2-5-15-31)29-32(23-13-12-21(27)17-22(23)28)25(18)20-10-8-19(9-11-20)7-3-6-16-33/h8-13,17,33H,2,4-6,14-16H2,1H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
InChIKey |
XQMUSOVCKGDJES-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