General Information of the Compound
| Compound ID |
CP0386630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4-methoxyphenyl)methyl]-4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27N3O5S
|
||||||||||||||||||
| Molecular Weight |
553.64
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNC(=O)c2ccc(cc2)C2CC(=O)N(Cc3ccccc3[N+]([O-])=O)c3ccccc3S2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27N3O5S/c1-39-25-16-10-21(11-17-25)19-32-31(36)23-14-12-22(13-15-23)29-18-30(35)33(27-8-4-5-9-28(27)40-29)20-24-6-2-3-7-26(24)34(37)38/h2-17,29H,18-20H2,1H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGWQHTRMWSMPRY-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