General Information of the Compound
| Compound ID |
CP0140472
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-7-[5-(3-methylpiperidin-1-yl)pentoxy]xanthen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28ClNO3
|
||||||||||||||||||
| Molecular Weight |
413.945
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCN(CCCCCOc2ccc3oc4ccc(Cl)cc4c(=O)c3c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28ClNO3/c1-17-6-5-12-26(16-17)11-3-2-4-13-28-19-8-10-23-21(15-19)24(27)20-14-18(25)7-9-22(20)29-23/h7-10,14-15,17H,2-6,11-13,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGCSDFHPKCOZNX-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