General Information of the Compound
| Compound ID |
CP0256471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chloro-4-methoxyphenyl)-3-(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C17H16ClFN2O2S
|
||||||||||||||||||
| Molecular Weight |
366.845
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)NC2CSc3ccc(F)cc3C2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16ClFN2O2S/c1-23-15-4-3-12(8-14(15)18)20-17(22)21-13-7-10-6-11(19)2-5-16(10)24-9-13/h2-6,8,13H,7,9H2,1H3,(H2,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UENOUPVSZYKLRD-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