General Information of the Compound
| Compound ID |
CP0231889
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-8-(4-methylphenyl)-2-(2-methylpropyl)-1-oxo-3H-2-benzazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H41N3O3
|
||||||||||||||||||
| Molecular Weight |
551.731
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN1CC(=Cc2ccc(cc2C1=O)-c1ccc(C)cc1)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H41N3O3/c1-24(2)21-38-23-30(19-29-12-11-28(20-33(29)35(38)40)27-9-5-25(3)6-10-27)34(39)36-31-13-7-26(8-14-31)22-37(4)32-15-17-41-18-16-32/h5-14,19-20,24,32H,15-18,21-23H2,1-4H3,(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWKXWSGIJMLGQM-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00903, C-C chemokine receptor type 5