General Information of the Compound
| Compound ID |
CP0154955
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N5O3S2
|
||||||||||||||||||
| Molecular Weight |
551.738
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)Nc1ncc(SCc2cc(C)c(C)c(c2)C(=O)N2CCN(CC2)C(C)=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N5O3S2/c1-18-14-21(15-24(19(18)2)27(36)33-12-10-32(11-13-33)20(3)34)17-37-25-16-29-28(38-25)30-26(35)22-6-8-23(9-7-22)31(4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H,29,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZWLAIJGXFHQJK-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