General Information of the Compound
| Compound ID |
CP0384937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[2-(5-cyclohexyl-1-methyl-2-oxo-1,3,4-benzotriazepin-3-yl)acetyl]amino]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N4O4
|
||||||||||||||||||
| Molecular Weight |
434.496
|
||||||||||||||||||
| Canonical SMILES |
CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N4O4/c1-27-20-13-6-5-12-19(20)22(16-8-3-2-4-9-16)26-28(24(27)32)15-21(29)25-18-11-7-10-17(14-18)23(30)31/h5-7,10-14,16H,2-4,8-9,15H2,1H3,(H,25,29)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZTXHKCJFLAZPND-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: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor