General Information of the Compound
| Compound ID |
CP0563685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-fluorophenyl)carbamothioylamino]-N-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H18FN3O2S2
|
||||||||||||||||||
| Molecular Weight |
427.526
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(NC(=S)Nc2sc3COCCc3c2C(=O)Nc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18FN3O2S2/c22-13-6-8-15(9-7-13)24-21(28)25-20-18(16-10-11-27-12-17(16)29-20)19(26)23-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,23,26)(H2,24,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWQSLHBVUCLNLF-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