General Information of the Compound
| Compound ID |
CP0562775
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-chlorophenyl)-1-[[5-(cyclohexylmethoxy)-4-oxochromen-3-yl]methyl]-1-(2-hydroxyethyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29ClN2O5
|
||||||||||||||||||
| Molecular Weight |
484.98
|
||||||||||||||||||
| Canonical SMILES |
OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C(=O)Nc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29ClN2O5/c27-20-9-11-21(12-10-20)28-26(32)29(13-14-30)15-19-17-34-23-8-4-7-22(24(23)25(19)31)33-16-18-5-2-1-3-6-18/h4,7-12,17-18,30H,1-3,5-6,13-16H2,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ITWIMBKMBWSSTD-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