General Information of the Compound
| Compound ID |
CP0532216
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-7-[6-(3-methylpiperidin-1-yl)hexoxy]xanthen-9-one
Show/Hide
|
||||||||||||||||||
| Formula |
C25H30ClNO3
|
||||||||||||||||||
| Molecular Weight |
427.972
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCN(CCCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClNO3/c1-18-7-6-13-27(17-18)12-4-2-3-5-14-29-20-9-11-24-22(16-20)25(28)21-15-19(26)8-10-23(21)30-24/h8-11,15-16,18H,2-7,12-14,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAIDCJHWMODKNB-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