General Information of the Compound
| Compound ID |
CP0530965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1824250
Show/Hide
|
||||||||||||||||||
| Formula |
C21H34N2O
|
||||||||||||||||||
| Molecular Weight |
330.516
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)c1ccc(OCCCN2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H34N2O/c1-22-20-10-6-18(7-11-20)19-8-12-21(13-9-19)24-17-5-16-23-14-3-2-4-15-23/h8-9,12-13,18,20,22H,2-7,10-11,14-17H2,1H3/t18-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEGLZFKWQUORTQ-KESTWPANSA-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