General Information of the Compound
| Compound ID |
CP0495575
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-Chlorobenzyl)-5-methoxy-7-methyl-2H-chromen-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15ClO3
|
||||||||||||||||||
| Molecular Weight |
314.768
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)cc2oc(=O)c(Cc3ccc(Cl)cc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15ClO3/c1-11-7-16(21-2)15-10-13(18(20)22-17(15)8-11)9-12-3-5-14(19)6-4-12/h3-8,10H,9H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNOFZUCEULARCR-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