General Information of the Compound
| Compound ID |
CP0886305
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-(4-chlorophenyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H15ClO2
|
||||||||||||||||||
| Molecular Weight |
262.736
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(c2ccc(Cl)cc2)C2CCC1C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H15ClO2/c1-18-15(17)14-11-3-2-10(8-11)13(14)9-4-6-12(16)7-5-9/h4-7,10-11H,2-3,8H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKYCXUFOXFTJIV-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