General Information of the Compound
| Compound ID |
CP0411578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29N3O5
|
||||||||||||||||||
| Molecular Weight |
499.567
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29N3O5/c1-36-24-14-9-15-25(37-2)26(24)23-18-21(27(33)30-29(28(34)35)16-6-3-7-17-29)31-32(23)22-13-8-11-19-10-4-5-12-20(19)22/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,30,33)(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTEJVDICTLPRLK-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