General Information of the Compound
| Compound ID |
CP0476241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9714221, Example 25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37FN2O2
|
||||||||||||||||||
| Molecular Weight |
476.636
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(=CC1)C1=C(c2ccc(O[C@H]3CCN(CCCF)C3)cc2)c2ccc(O)cc2CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37FN2O2/c1-32-17-12-22(13-18-32)28-5-2-4-24-20-25(34)8-11-29(24)30(28)23-6-9-26(10-7-23)35-27-14-19-33(21-27)16-3-15-31/h6-12,20,27,34H,2-5,13-19,21H2,1H3/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJQOOLSCJLQSDB-MHZLTWQESA-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