General Information of the Compound
| Compound ID |
CP0886067
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-cycloheptyl-2,4-dioxo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl)-N-m-tolyl-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37N5O4
|
||||||||||||||||||
| Molecular Weight |
531.657
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(NC(=O)CN2C(=O)N(CC(=O)N3CCCC3)c3ccccc3N(C3CCCCCC3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N5O4/c1-22-11-10-12-23(19-22)31-27(36)20-34-29(38)33(21-28(37)32-17-8-9-18-32)25-15-6-7-16-26(25)35(30(34)39)24-13-4-2-3-5-14-24/h6-7,10-12,15-16,19,24H,2-5,8-9,13-14,17-18,20-21H2,1H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RSSCBKHOJPGYIW-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