General Information of the Compound
| Compound ID |
CP0400855
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
aminobenzothiazole-based compound, 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3N3OS
|
||||||||||||||||||
| Molecular Weight |
421.488
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)c1nc2ccc(NC(=O)CCc3ccc(cc3)C(F)(F)F)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3N3OS/c1-13(2)27(3)20-26-17-10-9-16(12-18(17)29-20)25-19(28)11-6-14-4-7-15(8-5-14)21(22,23)24/h4-5,7-10,12-13H,6,11H2,1-3H3,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XORBCGNEPZKHBX-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