General Information of the Compound
| Compound ID |
CP0472468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 6,6-dimethyl-2-(phenylcarbamothioylamino)-4,7-dihydrothieno[3,2-c]pyran-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C21H26N2O3S2
|
||||||||||||||||||
| Molecular Weight |
418.584
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2CC(C)(C)OCc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N2O3S2/c1-20(2,3)26-18(24)16-14-12-25-21(4,5)11-15(14)28-17(16)23-19(27)22-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H2,22,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITEKWXIXZAPHLA-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 | |||||||||||||||||||
| 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: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT02059, C-X-C chemokine receptor type 4