General Information of the Compound
| Compound ID |
CP0481532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2-(2-methylpropyl)-6-nitro-1-oxo-3H-2-benzazepine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N4O5
|
||||||||||||||||||
| Molecular Weight |
506.603
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN1CC(=Cc2c(cccc2[N+]([O-])=O)C1=O)C(=O)Nc1ccc(CN(C)C2CCOCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N4O5/c1-19(2)16-31-18-21(15-25-24(28(31)34)5-4-6-26(25)32(35)36)27(33)29-22-9-7-20(8-10-22)17-30(3)23-11-13-37-14-12-23/h4-10,15,19,23H,11-14,16-18H2,1-3H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCSZVTNFPKFZHM-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