General Information of the Compound
| Compound ID |
CP0429415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O2S
|
||||||||||||||||||
| Molecular Weight |
382.489
|
||||||||||||||||||
| Canonical SMILES |
NCCNc1cc(nc2ccccc12)N1CCS(=O)(=O)c2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O2S/c21-9-10-22-18-13-20(23-17-7-3-2-6-16(17)18)24-11-12-27(25,26)19-8-4-1-5-15(19)14-24/h1-8,13H,9-12,14,21H2,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNACYIAAASPWDA-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