General Information of the Compound
| Compound ID |
CP0419100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27ClN4O5
|
||||||||||||||||||
| Molecular Weight |
535
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27ClN4O5/c1-37-23-7-6-8-24(38-2)25(23)22-16-20(26(34)31-28(27(35)36)12-4-3-5-13-28)32-33(22)21-11-14-30-19-15-17(29)9-10-18(19)21/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZDKIGSEQXJOOB-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: PT02142, Neurotensin receptor type 1
Protein ID: PT05740, Neurotensin receptor type 2