General Information of the Compound
| Compound ID |
CP0542454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-aminobenzo[d]thiazol-6-ylamino)-6-methyl-7-(3-morpholinopropoxy)quinoline-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N6O2S
|
||||||||||||||||||
| Molecular Weight |
474.59
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(Nc3ccc4nc(N)sc4c3)c(cnc2cc1OCCCN1CCOCC1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N6O2S/c1-16-11-19-21(13-22(16)33-8-2-5-31-6-9-32-10-7-31)28-15-17(14-26)24(19)29-18-3-4-20-23(12-18)34-25(27)30-20/h3-4,11-13,15H,2,5-10H2,1H3,(H2,27,30)(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BECGQBDLADDXNK-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