General Information of the Compound
| Compound ID |
CP0551755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[3-(2-propylpiperidine-1-carbonyl)phenyl]phenyl]-5-(2-pyridin-2-ylcyclopropyl)pyrazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34N4O3
|
||||||||||||||||||
| Molecular Weight |
534.66
|
||||||||||||||||||
| Canonical SMILES |
CCCC1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34N4O3/c1-2-9-25-13-4-6-17-36(25)32(38)24-12-7-10-22(18-24)23-11-8-14-26(19-23)37-31(29(21-35-37)33(39)40)28-20-27(28)30-15-3-5-16-34-30/h3,5,7-8,10-12,14-16,18-19,21,25,27-28H,2,4,6,9,13,17,20H2,1H3,(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSWIDSDLNMOACS-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 | |||||||||||||||||||
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