General Information of the Compound
| Compound ID |
CP0918904
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-cyclohexyl-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-1,2-dihydro-3H-1,3,4-benzotriazepin-3-yl)-N-(3-(methyl-(2-methylaminoethyl)-amino)-phenyl)-acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H44N6O3
|
||||||||||||||||||
| Molecular Weight |
560.743
|
||||||||||||||||||
| Canonical SMILES |
CNCCN(C)c1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H44N6O3/c1-32(2,3)28(39)21-37-27-17-10-9-16-26(27)30(23-12-7-6-8-13-23)35-38(31(37)41)22-29(40)34-24-14-11-15-25(20-24)36(5)19-18-33-4/h9-11,14-17,20,23,33H,6-8,12-13,18-19,21-22H2,1-5H3,(H,34,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSSPEYAJLNXWHK-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