General Information of the Compound
| Compound ID |
CP0552543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-dimethoxy-N-[5-(4-methylpiperazin-1-yl)-4-pyridin-2-yl-1,3-thiazol-2-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N5O3S
|
||||||||||||||||||
| Molecular Weight |
439.541
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)Nc1nc(c(s1)N1CCN(C)CC1)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N5O3S/c1-26-8-10-27(11-9-26)21-19(18-6-4-5-7-23-18)24-22(31-21)25-20(28)15-12-16(29-2)14-17(13-15)30-3/h4-7,12-14H,8-11H2,1-3H3,(H,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIXFQZJLSGBHRU-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