General Information of the Compound
| Compound ID |
CP0386845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methoxyanilino)-4-(4-methylphenyl)-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N4O3S2
|
||||||||||||||||||
| Molecular Weight |
518.664
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Nc2nc(c(s2)C(=O)Nc2sc3CCCCc3c2C(N)=O)-c2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N4O3S2/c1-15-7-9-16(10-8-15)22-23(36-27(30-22)29-17-11-13-18(34-2)14-12-17)25(33)31-26-21(24(28)32)19-5-3-4-6-20(19)35-26/h7-14H,3-6H2,1-2H3,(H2,28,32)(H,29,30)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWPZWSZSXBPZBB-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
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3