General Information of the Compound
| Compound ID |
CP0545893
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-chloro-5-[2-(cyclopropylmethylamino)-1,3-benzothiazol-6-yl]pyridin-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19ClN4OS
|
||||||||||||||||||
| Molecular Weight |
434.952
|
||||||||||||||||||
| Canonical SMILES |
Clc1ncc(cc1NC(=O)c1ccccc1)-c1ccc2nc(NCC3CC3)sc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19ClN4OS/c24-21-19(27-22(29)15-4-2-1-3-5-15)10-17(13-25-21)16-8-9-18-20(11-16)30-23(28-18)26-12-14-6-7-14/h1-5,8-11,13-14H,6-7,12H2,(H,26,28)(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTIQLXISMIJHAK-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