General Information of the Compound
| Compound ID |
CP0565118
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]pentane-1,5-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30N4O2S
|
||||||||||||||||||
| Molecular Weight |
438.597
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(cc(NCCCCCN)c2c1)N1CCS(=O)(=O)c2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30N4O2S/c1-18-9-10-21-20(15-18)22(26-12-6-2-5-11-25)16-24(27-21)28-13-14-31(29,30)23-8-4-3-7-19(23)17-28/h3-4,7-10,15-16H,2,5-6,11-14,17,25H2,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBLMPSYNGMTEEK-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