General Information of the Compound
Compound ID |
CP0415553
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]-N-(pyridin-2-ylmethyl)benzamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C29H24N4O4S
|
||||||||||||||||||
Molecular Weight |
524.602
|
||||||||||||||||||
Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccccn1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C29H24N4O4S/c34-28-17-27(20-12-14-21(15-13-20)29(35)31-18-23-8-5-6-16-30-23)38-26-11-4-3-10-25(26)32(28)19-22-7-1-2-9-24(22)33(36)37/h1-16,27H,17-19H2,(H,31,35)
Show/Hide
|
||||||||||||||||||
InChIKey |
WOSMCCCQCUJAAT-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